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

Systemtic Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)propionamide Formula: C21H20N4OS3 MolecularWeight: 440.6047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS3/c1-15(20(26)22-13-17-9-5-11-27-17)29-21-24-23-19(18-10-6-12-28-18)25(21)14-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,22,26)