3-[4-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H23N7O5S2 MolecularWeight: 469.53842

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O5S2/c1-21-7-9-23(10-8-21)31(28,29)12-3-4-14(13(11-12)24(26)27)30-17-20-19-16(22(17)2)6-5-15(18)25/h3-4,11H,5-10H2,1-2H3,(H2,18,25)