2-[6,7-dimethoxy-4-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-4-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-4-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-4-oxo-2-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-4-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-6,7-dimethoxy-2-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CC=C4)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CC=C4)CC#N)OC

InChI

InChI=1S/C21H17N5O4S/c1-28-16-10-14-15(11-17(16)29-2)23-18(26(9-8-22)20(14)27)12-31-21-25-24-19(30-21)13-6-4-3-5-7-13/h3-7,10-11H,9,12H2,1-2H3