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

Systemtic Name: 2-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-methyl-5-tetrazolyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(1-methyltetrazol-5-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CN1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C13H11N7OS/c1-19-13(16-17-18-19)22-8-11-15-10-5-3-2-4-9(10)12(21)20(11)7-6-14/h2-5H,7-8H2,1H3