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

Systemtic Name: 2-[2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H17N7OS MolecularWeight: 367.42818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C17H17N7OS/c18-9-10-23-15(19-14-8-4-3-7-13(14)16(23)25)11-26-17-20-21-22-24(17)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,10-11H2