N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Cl)C)C)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Cl)C)C)C4=CC=CO4

InChI

InChI=1S/C23H21ClN4O2S/c1-14-6-8-17(9-7-14)28-22(19-5-4-10-30-19)26-27-23(28)31-13-20(29)25-21-16(3)11-15(2)12-18(21)24/h4-12H,13H2,1-3H3,(H,25,29)