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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C)Br

InChI

InChI=1S/C20H21BrN4OS/c1-13-11-17(9-10-18(13)21)22-19(26)14(2)27-20-24-23-15(3)25(20)12-16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,22,26)