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

Systemtic Name: N-phenyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-phenyl-3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-phenyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-phenyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-phenyl-3-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H16N4OS2/c21-15(17-12-5-2-1-3-6-12)8-10-23-16-18-14(19-20-16)11-13-7-4-9-22-13/h1-7,9H,8,10-11H2,(H,17,21)(H,18,19,20)