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

Systemtic Name: N-[[4-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-[[4-methyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Formula: C23H25N7O4S MolecularWeight: 495.5541

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O4S/c1-27-20(15-24-22(32)17-6-5-9-19(14-17)30(33)34)25-26-23(27)35-16-21(31)29-12-10-28(11-13-29)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3,(H,24,32)