2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C18H18N6S2 MolecularWeight: 382.50572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

InChI

InChI=1S/C18H18N6S2/c1-22(11-16-20-14-5-3-4-6-15(14)26-16)12-24-18(25)23(2)17(21-24)13-7-9-19-10-8-13/h3-10H,11-12H2,1-2H3