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

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-2-[(4-pyrimidin-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-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C25H24N8S3 MolecularWeight: 532.70666

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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=NC=CC=N6

Isomeric SMILES

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

InChI

InChI=1S/C25H24N8S3/c34-25-32(18-30-13-15-31(16-14-30)23-26-11-6-12-27-23)29-22(33(25)19-7-2-1-3-8-19)17-35-24-28-20-9-4-5-10-21(20)36-24/h1-12H,13-18H2