4-(furan-2-ylmethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(furan-2-ylmethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-furylmethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-furanylmethyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(furan-2-ylmethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-furfuryl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CO4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CO4

InChI

InChI=1S/C19H23N5OS/c1-15-6-10-22(11-7-15)14-24-19(26)23(13-17-3-2-12-25-17)18(21-24)16-4-8-20-9-5-16/h2-5,8-9,12,15H,6-7,10-11,13-14H2,1H3/p+1