N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4S/c1-27-14-6-7-15-16(8-14)28-18(20-15)21-17(24)11-9-19-22(10-11)12-2-4-13(5-3-12)23(25)26/h2-10H,1H3,(H,20,21,24)