2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-isopropyl-quinazolin-4-one CAS Name: 2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-3-isopropyl-quinazolin-4-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

InChI

InChI=1S/C23H22N2O3S/c1-4-15-9-10-17-16(12-21(26)28-20(17)11-15)13-29-23-24-19-8-6-5-7-18(19)22(27)25(23)14(2)3/h5-12,14H,4,13H2,1-3H3