4-chloranyl-N1-ethyl-5-isoquinolin-5-ylsulfanyl-benzene-1,2-diamine

Systemtic Name: 4-chloranyl-N1-ethyl-5-isoquinolin-5-ylsulfanyl-benzene-1,2-diamine Openeye Name: 4-chloro-N1-ethyl-5-(5-isoquinolylsulfanyl)benzene-1,2-diamine CAS Name: 4-chloro-N1-ethyl-5-(5-isoquinolinylthio)benzene-1,2-diamine IUPAC Name: 4-chloro-1-N-ethyl-5-isoquinolin-5-ylsulfanylbenzene-1,2-diamine Traditional Name: [2-amino-4-chloro-5-(5-isoquinolylthio)phenyl]-ethyl-amine Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1N)Cl)SC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCNC1=CC(=C(C=C1N)Cl)SC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H16ClN3S/c1-2-21-15-9-17(13(18)8-14(15)19)22-16-5-3-4-11-10-20-7-6-12(11)16/h3-10,21H,2,19H2,1H3