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

Systemtic Name: N-[[4-methyl-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[4-methyl-5-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[4-methyl-5-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[4-methyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C18H23N7O4S MolecularWeight: 433.48472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O4S/c1-22-6-8-24(9-7-22)16(26)12-30-18-21-20-15(23(18)2)11-19-17(27)13-4-3-5-14(10-13)25(28)29/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,27)