N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-13-4-3-5-15(10-13)18(25)21-11-17-22-23-19(24(17)2)26-12-14-6-8-16(20)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)