3-[2-(2-chlorophenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(2-chlorophenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(2-chlorophenyl)ethyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(2-chlorophenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(2-chlorophenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(2-chlorophenyl)ethyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3Cl)OCC

InChI

InChI=1S/C20H21ClN2O3S/c1-3-25-17-11-14-16(12-18(17)26-4-2)22-20(27)23(19(14)24)10-9-13-7-5-6-8-15(13)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,27)