3-azanylidene-5-heptylsulfanyl-isoindol-1-amine

Systemtic Name: 3-azanylidene-5-heptylsulfanyl-isoindol-1-amine Openeye Name: 5-heptylsulfanyl-3-imino-isoindol-1-amine CAS Name: 5-(heptylthio)-3-imino-1-isoindolamine IUPAC Name: 5-heptylsulfanyl-3-iminoisoindol-1-amine Traditional Name: [5-(heptylthio)-3-imino-isoindol-1-yl]amine Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC2=C(C=C1)C(=NC2=N)N

Isomeric SMILES

CCCCCCCSC1=CC2=C(C=C1)C(=NC2=N)N

InChI

InChI=1S/C15H21N3S/c1-2-3-4-5-6-9-19-11-7-8-12-13(10-11)15(17)18-14(12)16/h7-8,10H,2-6,9H2,1H3,(H3,16,17,18)