[2-(4-methylphenyl)-1,3-thiazol-4-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-nitro-3-pyridyl)piperazin-1-yl]-[2-(p-tolyl)thiazol-4-yl]methanone CAS Name: [2-(4-methylphenyl)-4-thiazolyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-nitro-3-pyridyl)piperazino]-[2-(p-tolyl)thiazol-4-yl]methanone Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S/c1-14-2-4-15(5-3-14)19-22-17(13-29-19)20(26)24-10-8-23(9-11-24)16-6-7-18(21-12-16)25(27)28/h2-7,12-13H,8-11H2,1H3