5-methyl-3-(3-nitrophenyl)-2-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-4-carboxamide

Systemtic Name: 5-methyl-3-(3-nitrophenyl)-2-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-4-carboxamide Openeye Name: 5-methyl-3-(3-nitrophenyl)-2-phenyl-N-thiazol-2-yl-3,4-dihydropyrazole-4-carboxamide CAS Name: 5-methyl-3-(3-nitrophenyl)-2-phenyl-N-(2-thiazolyl)-3,4-dihydropyrazole-4-carboxamide IUPAC Name: 5-methyl-3-(3-nitrophenyl)-2-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-4-carboxamide Traditional Name: 3-methyl-5-(3-nitrophenyl)-1-phenyl-N-thiazol-2-yl-2-pyrazoline-4-carboxamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1C(=O)NC2=NC=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(C1C(=O)NC2=NC=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-13-17(19(26)22-20-21-10-11-29-20)18(14-6-5-9-16(12-14)25(27)28)24(23-13)15-7-3-2-4-8-15/h2-12,17-18H,1H3,(H,21,22,26)