2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-4-19(5-2)24-22(28)16-29-23-26-25-21(15-18-11-7-6-8-12-18)27(23)20-13-9-10-17(3)14-20/h6-14,19H,4-5,15-16H2,1-3H3,(H,24,28)