2-[4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-N-propyl-acetamide Formula: C20H29N7OS MolecularWeight: 415.55556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C20H29N7OS/c1-2-7-22-18(28)14-24-9-11-25(12-10-24)15-26-20(29)27(17-5-6-17)19(23-26)16-4-3-8-21-13-16/h3-4,8,13,17H,2,5-7,9-12,14-15H2,1H3,(H,22,28)