4-(4-methylphenyl)sulfonyl-1,4-benzothiazine-2-carbonitrile

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1,4-benzothiazine-2-carbonitrile Openeye Name: 4-(p-tolylsulfonyl)-1,4-benzothiazine-2-carbonitrile CAS Name: 4-(4-methylphenyl)sulfonyl-1,4-benzothiazine-2-carbonitrile IUPAC Name: 4-(4-methylphenyl)sulfonyl-1,4-benzothiazine-2-carbonitrile Traditional Name: 4-tosyl-1,4-benzothiazine-2-carbonitrile Formula: C16H12N2O2S2 MolecularWeight: 328.40868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(SC3=CC=CC=C32)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C16H12N2O2S2/c1-12-6-8-14(9-7-12)22(19,20)18-11-13(10-17)21-16-5-3-2-4-15(16)18/h2-9,11H,1H3