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

Systemtic Name: 2-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C15H13N7OS MolecularWeight: 339.37502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C15H13N7OS/c16-7-8-21-13(17-12-4-2-1-3-11(12)14(21)23)9-24-15-18-19-20-22(15)10-5-6-10/h1-4,10H,5-6,8-9H2