2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenacyl-ethanamide

Systemtic Name: 2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenacyl-ethanamide Openeye Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenacyl-acetamide CAS Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenacylacetamide IUPAC Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenacylacetamide Traditional Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenacyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO

InChI

InChI=1S/C21H22N4O3S/c26-13-7-12-19-23-24-21(25(19)17-10-5-2-6-11-17)29-15-20(28)22-14-18(27)16-8-3-1-4-9-16/h1-6,8-11,26H,7,12-15H2,(H,22,28)