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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)propionamide Formula: C21H20N4O2S3 MolecularWeight: 456.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=CS4

InChI

InChI=1S/C21H20N4O2S3/c1-14(20(26)22-13-15-7-5-11-28-15)30-21-24-23-19(18-10-6-12-29-18)25(21)16-8-3-4-9-17(16)27-2/h3-12,14H,13H2,1-2H3,(H,22,26)