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

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c1-16-9-12-23(13-10-16)15-24-20(26)25(18-7-3-2-4-8-18)19(22-24)17-6-5-11-21-14-17/h2-8,11,14,16H,9-10,12-13,15H2,1H3/p+1