2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H26N4OS/c1-4-17-10-12-19(13-11-17)21-23-22(25-24-21)28-15-20(27)26(16(2)3)14-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,23,24,25)