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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H15ClN4S MolecularWeight: 354.8565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCCCC#N

InChI

InChI=1S/C18H15ClN4S/c19-15-8-10-16(11-9-15)23-17(14-6-2-1-3-7-14)21-22-18(23)24-13-5-4-12-20/h1-3,6-11H,4-5,13H2