6-(2-aminophenyl)sulfanyl-3-azanylidene-5-bromanyl-4,7-dimethoxy-isoindol-1-amine

Systemtic Name: 6-(2-aminophenyl)sulfanyl-3-azanylidene-5-bromanyl-4,7-dimethoxy-isoindol-1-amine Openeye Name: 6-(2-aminophenyl)sulfanyl-5-bromo-3-imino-4,7-dimethoxy-isoindol-1-amine CAS Name: 6-[(2-aminophenyl)thio]-5-bromo-3-imino-4,7-dimethoxy-1-isoindolamine IUPAC Name: 6-(2-aminophenyl)sulfanyl-5-bromo-3-imino-4,7-dimethoxyisoindol-1-amine Traditional Name: [2-[(3-amino-6-bromo-1-imino-4,7-dimethoxy-isoindol-5-yl)thio]phenyl]amine Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C(=NC2=N)N)OC)Br)SC3=CC=CC=C3N

Isomeric SMILES

COC1=C(C(=C(C2=C1C(=NC2=N)N)OC)Br)SC3=CC=CC=C3N

InChI

InChI=1S/C16H15BrN4O2S/c1-22-12-9-10(16(20)21-15(9)19)13(23-2)14(11(12)17)24-8-6-4-3-5-7(8)18/h3-6H,18H2,1-2H3,(H3,19,20,21)