1,5-dimethyl-4-[5-methyl-2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[5-methyl-2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)thiazol-4-yl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)-4-thiazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)-1,3-thiazol-4-yl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[5-methyl-2-(4-nitroanilino)thiazol-4-yl]-2-phenyl-3-pyrazolin-3-one Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N5O3S/c1-13-18(20(27)25(24(13)3)16-7-5-4-6-8-16)19-14(2)30-21(23-19)22-15-9-11-17(12-10-15)26(28)29/h4-12H,1-3H3,(H,22,23)