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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-24-17(11-21-18(25)14-5-9-16(26-2)10-6-14)22-23-19(24)27-12-13-3-7-15(20)8-4-13/h3-10H,11-12H2,1-2H3,(H,21,25)