4-isoquinolin-5-ylsulfanyl-N2-(phenylmethyl)benzene-1,2-diamine

Systemtic Name: 4-isoquinolin-5-ylsulfanyl-N2-(phenylmethyl)benzene-1,2-diamine Openeye Name: N2-benzyl-4-(5-isoquinolylsulfanyl)benzene-1,2-diamine CAS Name: 4-(5-isoquinolinylthio)-N2-(phenylmethyl)benzene-1,2-diamine IUPAC Name: 2-N-benzyl-4-isoquinolin-5-ylsulfanylbenzene-1,2-diamine Traditional Name: [2-amino-5-(5-isoquinolylthio)phenyl]-benzyl-amine Formula: C22H19N3S MolecularWeight: 357.47136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CC(=C2)SC3=CC=CC4=C3C=CN=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CC(=C2)SC3=CC=CC4=C3C=CN=C4)N

InChI

InChI=1S/C22H19N3S/c23-20-10-9-18(13-21(20)25-14-16-5-2-1-3-6-16)26-22-8-4-7-17-15-24-12-11-19(17)22/h1-13,15,25H,14,23H2