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

Systemtic Name: 2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c26-15-7-12-19-23-24-21(25(19)18-10-5-2-6-11-18)28-16-20(27)22-14-13-17-8-3-1-4-9-17/h1-6,8-11,26H,7,12-16H2,(H,22,27)