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

Systemtic Name: 5-(4-ethylphenyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[(4-pyrazin-2-ylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C19H23N7S MolecularWeight: 381.49782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C19H23N7S/c1-2-15-3-5-16(6-4-15)18-22-19(27)26(23-18)14-24-9-11-25(12-10-24)17-13-20-7-8-21-17/h3-8,13H,2,9-12,14H2,1H3,(H,22,23,27)