N-(2-methoxy-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)N4CCCCC4

InChI

InChI=1S/C23H26N6O5S/c1-33-19-9-5-4-8-18(19)28-22(27-12-6-3-7-13-27)25-26-23(28)35-15-21(30)24-17-11-10-16(29(31)32)14-20(17)34-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,30)