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

Systemtic Name: 3-[4-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H24N6O5S2 MolecularWeight: 468.55036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O5S2/c1-12-4-3-9-23(11-12)31(28,29)13-5-6-15(14(10-13)24(26)27)30-18-21-20-17(22(18)2)8-7-16(19)25/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,19,25)