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

Systemtic Name: 4-[[2-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-pyridin-3-yl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-allyl-4-[[2-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-3-(3-pyridyl)-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-[[2-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-3-(3-pyridinyl)-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-[[2-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-pyridin-3-yl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-allyl-4-[[2-(2,3-dimethylphenyl)piperazino]methyl]-3-(3-pyridyl)-1H-1,2,4-triazol-4-ium-5-thione Formula: C23H29N6S+ MolecularWeight: 421.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2CNCCN2C[N+]3(C(=NNC3=S)C4=CN=CC=C4)CC=C

Isomeric SMILES

CC1=CC=CC(=C1C)C2CNCCN2C[N+]3(C(=NNC3=S)C4=CN=CC=C4)CC=C

InChI

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