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

Systemtic Name: (5-methyl-1-propan-2-yl-pyrazol-3-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (1-isopropyl-5-methyl-pyrazol-3-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-methyl-1-propan-2-yl-3-pyrazolyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-methyl-1-propan-2-ylpyrazol-3-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (1-isopropyl-5-methyl-pyrazol-3-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O3S/c1-12(2)24-13(3)10-16(21-24)18(26)22-6-8-23(9-7-22)19-20-15-5-4-14(25(27)28)11-17(15)29-19/h4-5,10-12H,6-9H2,1-3H3