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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4CC4

InChI

InChI=1S/C17H16N6OS/c1-22-15(11-6-7-11)20-21-17(22)25-10-14-19-13-5-3-2-4-12(13)16(24)23(14)9-8-18/h2-5,11H,6-7,9-10H2,1H3