3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine

Systemtic Name: 3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine Openeye Name: 3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine CAS Name: 3-(1,3-benzothiazol-6-ylthio)-N-(5-methyl-1H-pyrazol-3-yl)-1-isoquinolinamine IUPAC Name: 3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine Traditional Name: [3-(1,3-benzothiazol-6-ylthio)-1-isoquinolyl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C20H15N5S2 MolecularWeight: 389.4966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=CC3=CC=CC=C32)SC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=CC3=CC=CC=C32)SC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C20H15N5S2/c1-12-8-18(25-24-12)22-20-15-5-3-2-4-13(15)9-19(23-20)27-14-6-7-16-17(10-14)26-11-21-16/h2-11H,1H3,(H2,22,23,24,25)