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

Systemtic Name: 2-[4-oxidanylidene-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C19H14N6OS MolecularWeight: 374.41906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C19H14N6OS/c20-10-11-25-16(21-15-9-5-4-8-14(15)18(25)26)12-27-19-22-17(23-24-19)13-6-2-1-3-7-13/h1-9H,11-12H2,(H,22,23,24)