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

Systemtic Name: 4-(3,4-dimethylphenyl)-5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3,4-dimethylphenyl)-5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3,4-dimethylphenyl)-5-phenyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3,4-dimethylphenyl)-5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3,4-dimethylphenyl)-5-phenyl-2-[(4-pyrazin-2-ylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C25H27N7S MolecularWeight: 457.59378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CN=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CN=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H27N7S/c1-19-8-9-22(16-20(19)2)32-24(21-6-4-3-5-7-21)28-31(25(32)33)18-29-12-14-30(15-13-29)23-17-26-10-11-27-23/h3-11,16-17H,12-15,18H2,1-2H3