4-isoquinolin-5-ylsulfanyl-5-methyl-benzene-1,2-diamine

Systemtic Name: 4-isoquinolin-5-ylsulfanyl-5-methyl-benzene-1,2-diamine Openeye Name: 4-(5-isoquinolylsulfanyl)-5-methyl-benzene-1,2-diamine CAS Name: 4-(5-isoquinolinylthio)-5-methylbenzene-1,2-diamine IUPAC Name: 4-isoquinolin-5-ylsulfanyl-5-methylbenzene-1,2-diamine Traditional Name: [2-amino-4-(5-isoquinolylthio)-5-methyl-phenyl]amine Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC2=CC=CC3=C2C=CN=C3)N)N

Isomeric SMILES

CC1=CC(=C(C=C1SC2=CC=CC3=C2C=CN=C3)N)N

InChI

InChI=1S/C16H15N3S/c1-10-7-13(17)14(18)8-16(10)20-15-4-2-3-11-9-19-6-5-12(11)15/h2-9H,17-18H2,1H3