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

Systemtic Name: 2-[4-oxidanylidene-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H20N6OS/c1-15(2)20-25-22(26-28(20)16-8-4-3-5-9-16)30-14-19-24-18-11-7-6-10-17(18)21(29)27(19)13-12-23/h3-11,15H,13-14H2,1-2H3