2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H24N5S+ MolecularWeight: 390.52446

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCC(=CC2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCC(=CC2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H23N5S/c1-2-13-26-21(20-9-6-12-23-16-20)24-27(22(26)28)17-25-14-10-19(11-15-25)18-7-4-3-5-8-18/h2-10,12,16H,1,11,13-15,17H2/p+1