3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C(=NN4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C(=NN4)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-10-3-8-13-14(9-10)29-19(21-13)11-4-6-12(7-5-11)20-17(25)15-16(24(26)27)18(28-2)23-22-15/h3-9H,1-2H3,(H,20,25)(H,22,23)