1,4-dimethylbenzene; 2,3-dimethyl-5-oxidanylidene-1-phenyl-4-(sulfinatoamino)-2H-pyrrole

Systemtic Name: 1,4-dimethylbenzene; 2,3-dimethyl-5-oxidanylidene-1-phenyl-4-(sulfinatoamino)-2H-pyrrole Openeye Name: 2,3-dimethyl-5-oxo-1-phenyl-4-(sulfinatoamino)-2H-pyrrole; p-xylene CAS Name: 2,3-dimethyl-5-oxo-1-phenyl-4-(sulfinatoamino)-2H-pyrrole; 1,4-xylene IUPAC Name: 2,3-dimethyl-5-oxo-1-phenyl-4-(sulfinatoamino)-2H-pyrrole; 1,4-xylene Traditional Name: 2-keto-4,5-dimethyl-1-phenyl-3-(sulfinatoamino)-3-pyrroline; p-xylene Formula: C20H23N2O3S- MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=O)N1C2=CC=CC=C2)NS(=O)[O-])C.CC1=CC=C(C=C1)C

Isomeric SMILES

CC1C(=C(C(=O)N1C2=CC=CC=C2)NS(=O)[O-])C.CC1=CC=C(C=C1)C

InChI

InChI=1S/C12H14N2O3S.C8H10/c1-8-9(2)14(10-6-4-3-5-7-10)12(15)11(8)13-18(16)17;1-7-3-5-8(2)6-4-7/h3-7,9,13H,1-2H3,(H,16,17);3-6H,1-2H3/p-1