3-(4-ethylphenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-ethylphenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C27H22N2O4S/c1-3-17-8-10-19(11-9-17)29-26(31)22-6-4-5-7-23(22)28-27(29)34-16-18-14-25(30)33-24-15-20(32-2)12-13-21(18)24/h4-15H,3,16H2,1-2H3