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

Systemtic Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H17N5O3S/c1-12-7-3-5-9-15(12)22-13(2)20-21-18(22)27-11-17(24)19-14-8-4-6-10-16(14)23(25)26/h3-10H,11H2,1-2H3,(H,19,24)