4-azanylidene-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile

Systemtic Name: 4-azanylidene-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile Openeye Name: 4-imino-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile CAS Name: 4-imino-2-[4-(methylthio)phenyl]-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile IUPAC Name: 4-imino-2-(4-methylsulfanylphenyl)-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile Traditional Name: 4-imino-2-[4-(methylthio)phenyl]-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=N)N3CCC4=CC5=C(C=C4C3=C2)OCO5)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=N)N3CCC4=CC5=C(C=C4C3=C2)OCO5)C#N

InChI

InChI=1S/C22H17N3O2S/c1-28-15-4-2-13(3-5-15)16-9-19-17-10-21-20(26-12-27-21)8-14(17)6-7-25(19)22(24)18(16)11-23/h2-5,8-10,24H,6-7,12H2,1H3