2-[[4-(3-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[[4-(3-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[[5-benzyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-diethylphenyl)acetamide Formula: C27H27ClN4OS MolecularWeight: 491.04748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4OS/c1-3-20-12-8-13-21(4-2)26(20)29-25(33)18-34-27-31-30-24(16-19-10-6-5-7-11-19)32(27)23-15-9-14-22(28)17-23/h5-15,17H,3-4,16,18H2,1-2H3,(H,29,33)