2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(2,3-dimethylphenyl)piperazino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H28N6S MolecularWeight: 420.57362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C)C

InChI

InChI=1S/C23H28N6S/c1-4-11-28-22(20-8-6-10-24-16-20)25-29(23(28)30)17-26-12-14-27(15-13-26)21-9-5-7-18(2)19(21)3/h4-10,16H,1,11-15,17H2,2-3H3