5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[(4-pyrazin-2-ylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C17H19N7S MolecularWeight: 353.44466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C17H19N7S/c25-17-20-16(14-4-2-1-3-5-14)21-24(17)13-22-8-10-23(11-9-22)15-12-18-6-7-19-15/h1-7,12H,8-11,13H2,(H,20,21,25)