2-[2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C16H17N7OS MolecularWeight: 355.41748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C16H17N7OS/c1-16(2,3)23-15(19-20-21-23)25-10-13-18-12-7-5-4-6-11(12)14(24)22(13)9-8-17/h4-7H,9-10H2,1-3H3