piperidin-1-yl-[4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: piperidin-1-yl-[4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methanone Openeye Name: 1-piperidyl-[4-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]methanone CAS Name: 1-piperidinyl-[4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]methanone IUPAC Name: piperidin-1-yl-[4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methanone Traditional Name: piperidino-[4-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]methanone Formula: C21H31N7OS MolecularWeight: 429.58214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCN(CC2)C(=O)N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCN(CC2)C(=O)N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H31N7OS/c1-2-10-27-19(18-6-8-22-9-7-18)23-28(21(27)30)17-24-13-15-26(16-14-24)20(29)25-11-4-3-5-12-25/h6-9H,2-5,10-17H2,1H3