3-[[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[(1-benzylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[(1-benzylpyrazol-4-yl)methyl-methylamino]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[(1-benzylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,3-benzothiazole-2-thione Formula: C20H20N4S2 MolecularWeight: 380.5296

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C20H20N4S2/c1-22(15-24-18-9-5-6-10-19(18)26-20(24)25)12-17-11-21-23(14-17)13-16-7-3-2-4-8-16/h2-11,14H,12-13,15H2,1H3