3-iodanyl-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile

Systemtic Name: 3-iodanyl-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile Openeye Name: 3-iodo-1-(p-tolylsulfonyl)indole-5-carbonitrile CAS Name: 3-iodo-1-(4-methylphenyl)sulfonyl-5-indolecarbonitrile IUPAC Name: 3-iodo-1-(4-methylphenyl)sulfonylindole-5-carbonitrile Traditional Name: 3-iodo-1-tosyl-indole-5-carbonitrile Formula: C16H11IN2O2S MolecularWeight: 422.24021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)I

InChI

InChI=1S/C16H11IN2O2S/c1-11-2-5-13(6-3-11)22(20,21)19-10-15(17)14-8-12(9-18)4-7-16(14)19/h2-8,10H,1H3