N-cyclopropyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: N-cyclopropyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-2-26-19(15-16-9-5-3-6-10-16)24-25-22(26)28-20(17-11-7-4-8-12-17)21(27)23-18-13-14-18/h3-12,18,20H,2,13-15H2,1H3,(H,23,27)