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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)C)[N+](=O)[O-]

InChI

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