N-(2-nitrophenyl)-2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C23H26N6O3S/c1-17(27-14-8-3-9-15-27)22-25-26-23(28(22)18-10-4-2-5-11-18)33-16-21(30)24-19-12-6-7-13-20(19)29(31)32/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3,(H,24,30)