[2-(2,2-dicyanoethenyl)-1H-indol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2,2-dicyanovinyl)-1H-indol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] ester IUPAC Name: [2-(2,2-dicyanoethenyl)-1H-indol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,2-dicyanovinyl)-1H-indol-3-yl] ester Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(NC3=CC=CC=C32)C=C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(NC3=CC=CC=C32)C=C(C#N)C#N

InChI

InChI=1S/C19H13N3O3S/c1-13-6-8-15(9-7-13)26(23,24)25-19-16-4-2-3-5-17(16)22-18(19)10-14(11-20)12-21/h2-10,22H,1H3