3-[3-(phenanthridin-6-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(phenanthridin-6-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(phenanthridin-6-ylmethylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(6-phenanthridinylmethylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(phenanthridin-6-ylmethylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(phenanthridin-6-ylmethylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C23H19N5OS2 MolecularWeight: 445.55986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=NN=C(N4CCC(=O)N)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=NN=C(N4CCC(=O)N)C5=CC=CS5

InChI

InChI=1S/C23H19N5OS2/c24-21(29)11-12-28-22(20-10-5-13-30-20)26-27-23(28)31-14-19-17-8-2-1-6-15(17)16-7-3-4-9-18(16)25-19/h1-10,13H,11-12,14H2,(H2,24,29)