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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[(4-pyrazin-2-ylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C18H21N7OS/c1-26-15-4-2-14(3-5-15)17-21-18(27)25(22-17)13-23-8-10-24(11-9-23)16-12-19-6-7-20-16/h2-7,12H,8-11,13H2,1H3,(H,21,22,27)