5-chloranyl-4-(4-methylphenyl)-2-methylsulfonyl-thiophene-3-carbonitrile

Systemtic Name: 5-chloranyl-4-(4-methylphenyl)-2-methylsulfonyl-thiophene-3-carbonitrile Openeye Name: 5-chloro-2-methylsulfonyl-4-(p-tolyl)thiophene-3-carbonitrile CAS Name: 5-chloro-4-(4-methylphenyl)-2-methylsulfonyl-3-thiophenecarbonitrile IUPAC Name: 5-chloro-4-(4-methylphenyl)-2-methylsulfonylthiophene-3-carbonitrile Traditional Name: 5-chloro-2-mesyl-4-(p-tolyl)thiophene-3-carbonitrile Formula: C13H10ClNO2S2 MolecularWeight: 311.807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)S(=O)(=O)C)Cl

InChI

InChI=1S/C13H10ClNO2S2/c1-8-3-5-9(6-4-8)11-10(7-15)13(18-12(11)14)19(2,16)17/h3-6H,1-2H3