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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

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