3-(2,3-dimethylphenyl)-N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-N-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H25N5O2S MolecularWeight: 495.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N(C)CC4=CN(N=C4)C5=CC=CC=C5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N(C)CC4=CN(N=C4)C5=CC=CC=C5)NC2=S)C

InChI

InChI=1S/C28H25N5O2S/c1-18-8-7-11-25(19(18)2)33-27(35)23-13-12-21(14-24(23)30-28(33)36)26(34)31(3)16-20-15-29-32(17-20)22-9-5-4-6-10-22/h4-15,17H,16H2,1-3H3,(H,30,36)