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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

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