N-[3-[4-(4-ethoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(4-ethoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(4-ethoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-ethoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-ethoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[5-(phenacylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]propyl]acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCCNC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCCNC(=O)C

InChI

InChI=1S/C23H26N4O3S/c1-3-30-20-13-11-19(12-14-20)27-22(10-7-15-24-17(2)28)25-26-23(27)31-16-21(29)18-8-5-4-6-9-18/h4-6,8-9,11-14H,3,7,10,15-16H2,1-2H3,(H,24,28)