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

Systemtic Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H20N6S2 MolecularWeight: 408.543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C20H20N6S2/c1-3-11-25-19(15-7-6-10-21-12-15)23-26(20(25)27)14-24(2)13-18-22-16-8-4-5-9-17(16)28-18/h3-10,12H,1,11,13-14H2,2H3