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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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