N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C

InChI

InChI=1S/C22H21N5O2S/c1-13-18(14(2)27(25-13)16-7-5-4-6-8-16)12-23-20(28)15-9-10-17-19(11-15)24-22(30)26(3)21(17)29/h4-11H,12H2,1-3H3,(H,23,28)(H,24,30)