3-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)isoquinolin-1-amine

Systemtic Name: 3-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)isoquinolin-1-amine Openeye Name: 3-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)isoquinolin-1-amine CAS Name: 3-[(4-aminophenyl)thio]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-isoquinolinamine IUPAC Name: 3-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)isoquinolin-1-amine Traditional Name: [3-[(4-aminophenyl)thio]-1-isoquinolyl]-(5-cyclopropyl-1H-pyrazol-3-yl)amine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=CC4=CC=CC=C43)SC5=CC=C(C=C5)N

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=CC4=CC=CC=C43)SC5=CC=C(C=C5)N

InChI

InChI=1S/C21H19N5S/c22-15-7-9-16(10-8-15)27-20-11-14-3-1-2-4-17(14)21(24-20)23-19-12-18(25-26-19)13-5-6-13/h1-4,7-13H,5-6,22H2,(H2,23,24,25,26)