2-[4-[(4-cyclopropyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-cyclopropyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-cyclopropyl-3-(1-piperidyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-cyclopropyl-3-(1-piperidinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-cyclopropyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-cyclopropyl-3-piperidino-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C21H28N8S MolecularWeight: 424.56562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C21H28N8S/c22-15-17-6-7-23-19(14-17)26-12-10-25(11-13-26)16-28-21(30)29(18-4-5-18)20(24-28)27-8-2-1-3-9-27/h6-7,14,18H,1-5,8-13,16H2