N-[(4-dimethylaminophenyl)methyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5OS/c1-29(2)22-16-14-20(15-17-22)18-30(3)24(32)19-33-26-28-27-25(21-10-6-4-7-11-21)31(26)23-12-8-5-9-13-23/h4-17H,18-19H2,1-3H3