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

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylbenzamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN(C)C)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCN(C)C)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-25(2)13-14-28-21-24-23-19(26(21)3)15-22-20(27)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,27)