N-(2-methylsulfanylphenyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[2-(methylthio)phenyl]-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-[2-(methylthio)phenyl]-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H26N4OS3 MolecularWeight: 494.69514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H26N4OS3/c1-18(24(30)26-21-12-6-7-13-22(21)31-2)33-25-28-27-23(17-20-11-8-16-32-20)29(25)15-14-19-9-4-3-5-10-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,26,30)