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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-16-10-12-18(13-11-16)20-23-21(25-24-20)27-15-19(26)22-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,22,26)(H,23,24,25)