5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-2-[[4-(2-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C26H25N7S3 MolecularWeight: 531.7186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=N6

InChI

InChI=1S/C26H25N7S3/c34-26-32(19-30-14-16-31(17-15-30)23-12-6-7-13-27-23)29-24(33(26)20-8-2-1-3-9-20)18-35-25-28-21-10-4-5-11-22(21)36-25/h1-13H,14-19H2