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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26N4O2S/c1-19(25(31)27-18-17-20-9-5-3-6-10-20)33-26-29-28-24(21-13-15-23(32-2)16-14-21)30(26)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3,(H,27,31)