4-[3-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=S)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=S)N

InChI

InChI=1S/C17H15N3O2S/c1-10-7-13(8-14(9-18)16(19)23)11(2)20(10)15-5-3-12(4-6-15)17(21)22/h3-8H,1-2H3,(H2,19,23)(H,21,22)