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

Systemtic Name: 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(1-phenyltetrazol-5-yl)thio]methyl]phenyl]benzonitrile Formula: C21H15N5S MolecularWeight: 369.4423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H15N5S/c22-14-18-6-4-5-9-20(18)17-12-10-16(11-13-17)15-27-21-23-24-25-26(21)19-7-2-1-3-8-19/h1-13H,15H2