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

Systemtic Name: 2-[3-(4-chlorophenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylethanenitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylacetonitrile CAS Name: 2-[[3-(4-chlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thio]acetonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]thio]acetonitrile Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4OS/c1-11(21-7-6-16)14(20,8-19-10-17-9-18-19)12-2-4-13(15)5-3-12/h2-5,9-11,20H,7-8H2,1H3