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

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: 2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propionamide Formula: C26H28N4OS2 MolecularWeight: 476.65672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4OS2/c1-19(22-12-7-4-8-13-22)27-25(31)20(2)33-26-29-28-24(18-23-14-9-17-32-23)30(26)16-15-21-10-5-3-6-11-21/h3-14,17,19-20H,15-16,18H2,1-2H3,(H,27,31)