4-azanyl-2-methyl-5-(4-methylphenyl)sulfonyl-6-oxidanyl-benzene-1,3-dicarbonitrile

Systemtic Name: 4-azanyl-2-methyl-5-(4-methylphenyl)sulfonyl-6-oxidanyl-benzene-1,3-dicarbonitrile Openeye Name: 4-amino-6-hydroxy-2-methyl-5-(p-tolylsulfonyl)benzene-1,3-dicarbonitrile CAS Name: 4-amino-6-hydroxy-2-methyl-5-(4-methylphenyl)sulfonylbenzene-1,3-dicarbonitrile IUPAC Name: 4-amino-6-hydroxy-2-methyl-5-(4-methylphenyl)sulfonylbenzene-1,3-dicarbonitrile Traditional Name: 4-amino-6-hydroxy-2-methyl-5-tosyl-isophthalonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2O)C#N)C)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2O)C#N)C)C#N)N

InChI

InChI=1S/C16H13N3O3S/c1-9-3-5-11(6-4-9)23(21,22)16-14(19)12(7-17)10(2)13(8-18)15(16)20/h3-6,20H,19H2,1-2H3