2-[[5-(1-benzothiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(1-benzothiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-(benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(1-benzothiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(1-benzothiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-(benzothiophen-3-yl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CSC4=CC=CC=C43

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H18N4OS2/c1-2-12-25-20(17-13-27-18-11-7-6-10-16(17)18)23-24-21(25)28-14-19(26)22-15-8-4-3-5-9-15/h2-11,13H,1,12,14H2,(H,22,26)