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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Cl)(C(N2C=NC=N2)SC(C)C#N)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)Cl)(C(N2C=NC=N2)SC(C)C#N)O

InChI

InChI=1S/C15H17ClN4OS/c1-3-15(21,12-4-6-13(16)7-5-12)14(22-11(2)8-17)20-10-18-9-19-20/h4-7,9-11,14,21H,3H2,1-2H3