1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-3-thioxo-prop-1-en-1-olate Formula: C22H17BrN3OS- MolecularWeight: 451.35888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=C(C#N)C(=S)NC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=C(C#N)C(=S)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H18BrN3OS/c1-14-12-19(15(2)26(14)18-10-8-16(23)9-11-18)21(27)20(13-24)22(28)25-17-6-4-3-5-7-17/h3-12,27H,1-2H3,(H,25,28)/p-1