2-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)thiazole-4-carboxamide CAS Name: 2-[[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(4-phenylbutan-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)thiazole-4-carboxamide Formula: C30H27Cl2N5OS2 MolecularWeight: 608.60428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C30H27Cl2N5OS2/c1-20(12-13-21-8-4-2-5-9-21)33-29(38)26-18-39-28(34-26)19-40-30-36-35-27(16-22-10-6-3-7-11-22)37(30)23-14-15-24(31)25(32)17-23/h2-11,14-15,17-18,20H,12-13,16,19H2,1H3,(H,33,38)