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

Systemtic Name: [2-(2,2-dicyanoethenyl)-1-methyl-indol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2,2-dicyanovinyl)-1-methyl-indol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,2-dicyanoethenyl)-1-methyl-3-indolyl] ester IUPAC Name: [2-(2,2-dicyanoethenyl)-1-methylindol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,2-dicyanovinyl)-1-methyl-indol-3-yl] ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N(C3=CC=CC=C32)C)C=C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N(C3=CC=CC=C32)C)C=C(C#N)C#N

InChI

InChI=1S/C20H15N3O3S/c1-14-7-9-16(10-8-14)27(24,25)26-20-17-5-3-4-6-18(17)23(2)19(20)11-15(12-21)13-22/h3-11H,1-2H3