4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C13H13ClN4S MolecularWeight: 292.78712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCCC#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN4S/c1-18-12(10-4-6-11(14)7-5-10)16-17-13(18)19-9-3-2-8-15/h4-7H,2-3,9H2,1H3