3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

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

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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)NCC4=CC=CC=C4CN5C=CC=N5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4CN5C=CC=N5)NC2=S)C

InChI

InChI=1S/C28H25N5O2S/c1-18-7-5-10-25(19(18)2)33-27(35)23-12-11-20(15-24(23)31-28(33)36)26(34)29-16-21-8-3-4-9-22(21)17-32-14-6-13-30-32/h3-15H,16-17H2,1-2H3,(H,29,34)(H,31,36)