2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H26N6S2 MolecularWeight: 450.62274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCC(CC2)C3=NC4=CC=CC=C4S3)C5=CC=NC=C5

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCC(CC2)C3=NC4=CC=CC=C4S3)C5=CC=NC=C5

InChI

InChI=1S/C23H26N6S2/c1-2-13-28-21(17-7-11-24-12-8-17)26-29(23(28)30)16-27-14-9-18(10-15-27)22-25-19-5-3-4-6-20(19)31-22/h3-8,11-12,18H,2,9-10,13-16H2,1H3