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

Systemtic Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-12-7-9-15(10-8-12)20-18(25)13(2)28-19-22-21-17(23(19)3)14-5-4-6-16(11-14)24(26)27/h4-11,13H,1-3H3,(H,20,25)