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

Systemtic Name: 3-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[1-(p-tolyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[1-(4-methylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[1-(p-tolyl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N5S/c1-12-5-7-15(8-6-12)21-16(18-19-20-21)22-11-14-4-2-3-13(9-14)10-17/h2-9H,11H2,1H3