methyl 4-oxidanylidene-3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-phenyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazoline-7-carboxylate Traditional Name: 4-keto-3-phenyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazoline-7-carboxylic acid methyl ester Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC3=NC(=NO3)C4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC3=NC(=NO3)C4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O4S/c1-34-25(33)18-9-10-20-21(16-18)28-26(31(24(20)32)19-6-3-2-4-7-19)36-15-5-8-22-29-23(30-35-22)17-11-13-27-14-12-17/h2-4,6-7,9-14,16H,5,8,15H2,1H3