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

Systemtic Name: 2-[4-oxidanylidene-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(1-phenyltetrazol-5-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C18H13N7OS MolecularWeight: 375.40712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C18H13N7OS/c19-10-11-24-16(20-15-9-5-4-8-14(15)17(24)26)12-27-18-21-22-23-25(18)13-6-2-1-3-7-13/h1-9H,11-12H2