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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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