4-[[4-(3-cyanophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-(3-cyanophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonic acid Openeye Name: 4-[[4-(3-cyanophenyl)-3-ethyl-thiazol-2-ylidene]amino]benzenesulfonic acid CAS Name: 4-[[4-(3-cyanophenyl)-3-ethyl-2-thiazolylidene]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(3-cyanophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonic acid Traditional Name: 4-[[4-(3-cyanophenyl)-3-ethyl-4-thiazolin-2-ylidene]amino]besylic acid Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H15N3O3S2/c1-2-21-17(14-5-3-4-13(10-14)11-19)12-25-18(21)20-15-6-8-16(9-7-15)26(22,23)24/h3-10,12H,2H2,1H3,(H,22,23,24)