(3-methoxy-1-methyl-pyrazol-4-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3-methoxy-1-methyl-pyrazol-4-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-methoxy-1-methyl-pyrazol-4-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3-methoxy-1-methyl-4-pyrazolyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-methoxy-1-methylpyrazol-4-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3-methoxy-1-methyl-pyrazol-4-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S/c1-20-10-12(15(19-20)27-2)16(24)21-5-7-22(8-6-21)17-18-13-4-3-11(23(25)26)9-14(13)28-17/h3-4,9-10H,5-8H2,1-2H3