2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[1-(3-chlorophenyl)-2-imidazolyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[1-(3-chlorophenyl)imidazol-2-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=CN3C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=CN3C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C20H17ClN4O3S/c1-27-16-9-14-15(10-17(16)28-2)23-18(24-19(14)26)11-29-20-22-6-7-25(20)13-5-3-4-12(21)8-13/h3-10H,11H2,1-2H3,(H,23,24,26)