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

Systemtic Name: N-[3-(piperidin-1-ylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[3-(1-piperidylmethyl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[3-(1-piperidinylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[3-(piperidin-1-ylmethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[3-(piperidinomethyl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c27-19(9-12-26-20(23-24-21(26)28)18-8-5-13-29-18)22-17-7-4-6-16(14-17)15-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12,15H2,(H,22,27)(H,24,28)