3-azanylidene-5-butylsulfanyl-isoindol-1-amine

Systemtic Name: 3-azanylidene-5-butylsulfanyl-isoindol-1-amine Openeye Name: 5-butylsulfanyl-3-imino-isoindol-1-amine CAS Name: 5-(butylthio)-3-imino-1-isoindolamine IUPAC Name: 5-butylsulfanyl-3-iminoisoindol-1-amine Traditional Name: [5-(butylthio)-3-imino-isoindol-1-yl]amine Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC2=C(C=C1)C(=NC2=N)N

Isomeric SMILES

CCCCSC1=CC2=C(C=C1)C(=NC2=N)N

InChI

InChI=1S/C12H15N3S/c1-2-3-6-16-8-4-5-9-10(7-8)12(14)15-11(9)13/h4-5,7H,2-3,6H2,1H3,(H3,13,14,15)