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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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