N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]indazol-1-amine

Systemtic Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]indazol-1-amine Openeye Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(m-tolyl)pyrimidin-4-yl]indazol-1-amine CAS Name: N-[2-(1,3-benzothiazol-6-ylthio)-6-(3-methylphenyl)-4-pyrimidinyl]-1-indazolamine IUPAC Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]indazol-1-amine Traditional Name: [2-(1,3-benzothiazol-6-ylthio)-6-(m-tolyl)pyrimidin-4-yl]-indazol-1-yl-amine Formula: C25H18N6S2 MolecularWeight: 466.58062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NC(=N2)SC3=CC4=C(C=C3)N=CS4)NN5C6=CC=CC=C6C=N5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NC(=N2)SC3=CC4=C(C=C3)N=CS4)NN5C6=CC=CC=C6C=N5

InChI

InChI=1S/C25H18N6S2/c1-16-5-4-7-17(11-16)21-13-24(30-31-22-8-3-2-6-18(22)14-27-31)29-25(28-21)33-19-9-10-20-23(12-19)32-15-26-20/h2-15H,1H3,(H,28,29,30)