3-cyano-4-[1-[5-(2,4-dimethylphenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]benzenethiolate

Systemtic Name: 3-cyano-4-[1-[5-(2,4-dimethylphenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]benzenethiolate Openeye Name: 3-cyano-4-[1-[5-(2,4-dimethylbenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]benzenethiolate CAS Name: 3-cyano-4-[1-[5-[(2,4-dimethylphenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]benzenethiolate IUPAC Name: 3-cyano-4-[1-[5-(2,4-dimethylbenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]benzenethiolate Traditional Name: 3-cyano-4-[1-[5-(2,4-dimethylbenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]benzenethiolate Formula: C23H21N2OS- MolecularWeight: 373.49064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(C=C(N2)C(C)C3=C(C=C(C=C3)[S-])C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(C=C(N2)C(C)C3=C(C=C(C=C3)[S-])C#N)C)C

InChI

InChI=1S/C23H22N2OS/c1-13-5-7-19(14(2)9-13)23(26)22-15(3)10-21(25-22)16(4)20-8-6-18(27)11-17(20)12-24/h5-11,16,25,27H,1-4H3/p-1