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

Systemtic Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C12H12N4S/c13-8-4-5-9-17-12-14-11(15-16-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,14,15,16)