[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-piperidin-1-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-piperidin-1-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone CAS Name: [4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone Traditional Name: [4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-[4-(piperidine-1-carbonyl)piperazino]methanone Formula: C20H25N7O4S MolecularWeight: 459.522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O4S/c1-23-14-21-22-19(23)32-17-6-5-15(13-16(17)27(30)31)18(28)24-9-11-26(12-10-24)20(29)25-7-3-2-4-8-25/h5-6,13-14H,2-4,7-12H2,1H3