benzenecarbonitrile; 4-butyl-1H-1,2,4-triazole-5-thione

Systemtic Name: benzenecarbonitrile; 4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: benzonitrile; 4-butyl-1H-1,2,4-triazole-5-thione CAS Name: benzonitrile; 4-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: benzonitrile; 4-butyl-1H-1,2,4-triazole-5-thione Traditional Name: benzonitrile; 4-butyl-1H-1,2,4-triazole-5-thione Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NNC1=S.C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCN1C=NNC1=S.C1=CC=C(C=C1)C#N

InChI

InChI=1S/C7H5N.C6H11N3S/c8-6-7-4-2-1-3-5-7;1-2-3-4-9-5-7-8-6(9)10/h1-5H;5H,2-4H2,1H3,(H,8,10)