N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[(6-pyrrolidino-3-pyridyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H22N6OS2 MolecularWeight: 414.54758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C19H22N6OS2/c26-17(7-10-25-18(22-23-19(25)27)15-4-3-11-28-15)21-13-14-5-6-16(20-12-14)24-8-1-2-9-24/h3-6,11-12H,1-2,7-10,13H2,(H,21,26)(H,23,27)