3-dodecylsulfanyl-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile

Systemtic Name: 3-dodecylsulfanyl-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile Openeye Name: 3-dodecylsulfanyl-8-oxo-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile CAS Name: 3-(dodecylthio)-8-oxo-9-acenaphthyleno[1,2-b]pyrrolecarbonitrile IUPAC Name: 3-dodecylsulfanyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile Traditional Name: 8-keto-3-(laurylthio)acenaphtho[1,2-b]pyrrole-9-carbonitrile Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C#N

Isomeric SMILES

CCCCCCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C#N

InChI

InChI=1S/C27H30N2OS/c1-2-3-4-5-6-7-8-9-10-11-17-31-23-16-15-20-24-19(23)13-12-14-21(24)26-25(20)22(18-28)27(30)29-26/h12-16H,2-11,17H2,1H3