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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-3-27-19-23-22-17(24(19)15-9-7-14(20)8-10-15)12-21-18(25)13-5-4-6-16(11-13)26-2/h4-11H,3,12H2,1-2H3,(H,21,25)