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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-14-8-9-18(17(21)12-14)22-19(26)13-27-20-24-23-15(2)25(20)11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)