4-isoquinolin-5-ylsulfanyl-5-methyl-2-nitro-aniline

Systemtic Name: 4-isoquinolin-5-ylsulfanyl-5-methyl-2-nitro-aniline Openeye Name: 4-(5-isoquinolylsulfanyl)-5-methyl-2-nitro-aniline CAS Name: 4-(5-isoquinolinylthio)-5-methyl-2-nitroaniline IUPAC Name: 4-isoquinolin-5-ylsulfanyl-5-methyl-2-nitroaniline Traditional Name: [4-(5-isoquinolylthio)-5-methyl-2-nitro-phenyl]amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(C=C1SC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H13N3O2S/c1-10-7-13(17)14(19(20)21)8-16(10)22-15-4-2-3-11-9-18-6-5-12(11)15/h2-9H,17H2,1H3