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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C22H24N5S2+ MolecularWeight: 422.58946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N5S2/c1-16-24-26(22(28)27(16)18-7-3-2-4-8-18)15-25-13-11-17(12-14-25)21-23-19-9-5-6-10-20(19)29-21/h2-10,17H,11-15H2,1H3/p+1