6,8-dimethyl-2-methylsulfanyl-1-nitro-indolizine-3-carbonitrile

Systemtic Name: 6,8-dimethyl-2-methylsulfanyl-1-nitro-indolizine-3-carbonitrile Openeye Name: 6,8-dimethyl-2-methylsulfanyl-1-nitro-indolizine-3-carbonitrile CAS Name: 6,8-dimethyl-2-(methylthio)-1-nitro-3-indolizinecarbonitrile IUPAC Name: 6,8-dimethyl-2-methylsulfanyl-1-nitroindolizine-3-carbonitrile Traditional Name: 6,8-dimethyl-2-(methylthio)-1-nitro-indolizine-3-carbonitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN2C1=C(C(=C2C#N)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CN2C1=C(C(=C2C#N)SC)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N3O2S/c1-7-4-8(2)10-11(15(16)17)12(18-3)9(5-13)14(10)6-7/h4,6H,1-3H3