6-ethyl-2-methylsulfanyl-1-nitro-indolizine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN2C(=C(C(=C2C#N)SC)[N+](=O)[O-])C=C1

Isomeric SMILES

CCC1=CN2C(=C(C(=C2C#N)SC)[N+](=O)[O-])C=C1

InChI

InChI=1S/C12H11N3O2S/c1-3-8-4-5-9-11(15(16)17)12(18-2)10(6-13)14(9)7-8/h4-5,7H,3H2,1-2H3