N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C19H25N7O4S MolecularWeight: 447.5113

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O4S/c1-3-25-16(12-20-18(28)14-5-4-6-15(11-14)26(29)30)21-22-19(25)31-13-17(27)24-9-7-23(2)8-10-24/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,28)