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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl3N2S
Molecular Weight 411.776
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTOCONAZOLE, (S)-

SMILES

ClC1=CC=C(CC[C@@H](CN2C=CN=C2)SC3=C(Cl)C=CC=C3Cl)C=C1

InChI

InChIKey=SWLMUYACZKCSHZ-INIZCTEOSA-N
InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H17Cl3N2S
Molecular Weight 411.776
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7LKA6W37RP
Record Status Validated (UNII)
Record Version