3-(3,4-dimethylphenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,4-dimethylbenzoyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3,4-dimethylphenyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,4-dimethylbenzoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3,4-dimethylbenzoyl)-2-thioxo-1H-quinazolin-4-one Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C17H14N2O2S/c1-10-7-8-12(9-11(10)2)15(20)19-16(21)13-5-3-4-6-14(13)18-17(19)22/h3-9H,1-2H3,(H,18,22)