4-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H13N5S/c17-10-12-6-8-13(9-7-12)11-22-16-20-19-15(21(16)18)14-4-2-1-3-5-14/h1-9H,11,18H2