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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H21BrN4OS/c1-14-12-16(9-10-17(14)21)22-19(26)13-27-20-24-23-18(25(20)2)11-8-15-6-4-3-5-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,22,26)