2-[(2,5-dimethylphenyl)sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]indolizine-1-carbonitrile Formula: C18H16N2S MolecularWeight: 292.39804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H16N2S/c1-13-6-7-14(2)18(9-13)21-12-15-11-20-8-4-3-5-17(20)16(15)10-19/h3-9,11H,12H2,1-2H3