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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(1-phenyl-5-tetrazolyl)thio]methyl]benzonitrile IUPAC Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(1-phenyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C15H11N5S MolecularWeight: 293.34634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H11N5S/c16-10-12-5-4-6-13(9-12)11-21-15-17-18-19-20(15)14-7-2-1-3-8-14/h1-9H,11H2