3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: N-(2-nitrophenyl)-3-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: N-(2-nitrophenyl)-3-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3S/c1-17-11-13-19(14-12-17)28-23(18-7-3-2-4-8-18)26-27-24(28)33-16-15-22(30)25-20-9-5-6-10-21(20)29(31)32/h2-14H,15-16H2,1H3,(H,25,30)