2-[3-(4-chlorophenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropanenitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylpropanenitrile CAS Name: 2-[[3-(4-chlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thio]propanenitrile IUPAC Name: 2-[3-(4-chlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropanenitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]thio]propionitrile Formula: C15H17ClN4OS MolecularWeight: 336.83968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C#N)SC(C)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H17ClN4OS/c1-11(7-17)22-12(2)15(21,8-20-10-18-9-19-20)13-3-5-14(16)6-4-13/h3-6,9-12,21H,8H2,1-2H3