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

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzyl-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H26N4OS2 MolecularWeight: 462.63014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H26N4OS2/c1-19(24(30)26-18-21-11-6-3-7-12-21)32-25-28-27-23(17-22-13-8-16-31-22)29(25)15-14-20-9-4-2-5-10-20/h2-13,16,19H,14-15,17-18H2,1H3,(H,26,30)