N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine

Systemtic Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine Openeye Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(m-tolyl)pyrimidin-4-yl]-4-ethyl-thiazol-5-amine CAS Name: N-[2-(1,3-benzothiazol-6-ylthio)-6-(3-methylphenyl)-4-pyrimidinyl]-4-ethyl-5-thiazolamine IUPAC Name: N-[2-(1,3-benzothiazol-6-ylsulfanyl)-6-(3-methylphenyl)pyrimidin-4-yl]-4-ethyl-1,3-thiazol-5-amine Traditional Name: [2-(1,3-benzothiazol-6-ylthio)-6-(m-tolyl)pyrimidin-4-yl]-(4-ethylthiazol-5-yl)amine Formula: C23H19N5S3 MolecularWeight: 461.62546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=N1)NC2=NC(=NC(=C2)C3=CC(=CC=C3)C)SC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCC1=C(SC=N1)NC2=NC(=NC(=C2)C3=CC(=CC=C3)C)SC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H19N5S3/c1-3-17-22(30-13-24-17)27-21-11-19(15-6-4-5-14(2)9-15)26-23(28-21)31-16-7-8-18-20(10-16)29-12-25-18/h4-13H,3H2,1-2H3,(H,26,27,28)