N-(1H-indazol-3-yl)-3-(3-methoxyphenyl)sulfanyl-isoquinolin-1-amine

Systemtic Name: N-(1H-indazol-3-yl)-3-(3-methoxyphenyl)sulfanyl-isoquinolin-1-amine Openeye Name: N-(1H-indazol-3-yl)-3-(3-methoxyphenyl)sulfanyl-isoquinolin-1-amine CAS Name: N-(1H-indazol-3-yl)-3-[(3-methoxyphenyl)thio]-1-isoquinolinamine IUPAC Name: N-(1H-indazol-3-yl)-3-(3-methoxyphenyl)sulfanylisoquinolin-1-amine Traditional Name: 1H-indazol-3-yl-[3-[(3-methoxyphenyl)thio]-1-isoquinolyl]amine Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=CC3=CC=CC=C3C(=N2)NC4=NNC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC=C1)SC2=CC3=CC=CC=C3C(=N2)NC4=NNC5=CC=CC=C54

InChI

InChI=1S/C23H18N4OS/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23/h2-14H,1H3,(H2,24,25,26,27)