5-chloranyl-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[5-methyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]-2-nitro-benzamide Formula: C20H14ClN5O3S MolecularWeight: 439.87486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H14ClN5O3S/c1-12-9-18(23-19(27)15-10-14(21)7-8-17(15)26(28)29)25(24-12)20-22-16(11-30-20)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27)