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

Systemtic Name: N-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-methoxyphenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-methoxyphenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C17H18N4O2S2/c1-11(16(22)18-12-5-7-13(23-2)8-6-12)25-17-19-15(20-21-17)10-14-4-3-9-24-14/h3-9,11H,10H2,1-2H3,(H,18,22)(H,19,20,21)