3-(2,3-dimethylphenyl)-N-(3-ethynylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-N-(3-ethynylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-(3-ethynylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-N-(3-ethynylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-N-(3-ethynylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-N-(3-ethynylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#C)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#C)NC2=S)C

InChI

InChI=1S/C25H19N3O2S/c1-4-17-8-6-9-19(13-17)26-23(29)18-11-12-20-21(14-18)27-25(31)28(24(20)30)22-10-5-7-15(2)16(22)3/h1,5-14H,2-3H3,(H,26,29)(H,27,31)