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

Systemtic Name: 2-[4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(1-tert-butyltetrazol-5-yl)thio]methyl]phenyl]benzonitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H19N5S/c1-19(2,3)24-18(21-22-23-24)25-13-14-8-10-15(11-9-14)17-7-5-4-6-16(17)12-20/h4-11H,13H2,1-3H3