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

Systemtic Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H11ClN4S MolecularWeight: 278.76054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCCCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCCCC#N)Cl

InChI

InChI=1S/C12H11ClN4S/c13-10-5-3-9(4-6-10)11-15-12(17-16-11)18-8-2-1-7-14/h3-6H,1-2,8H2,(H,15,16,17)