4-cyanobenzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine

Systemtic Name: 4-cyanobenzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Openeye Name: 4-cyanobenzenesulfonic acid; 4-(4-methoxyphenyl)thiazol-2-amine CAS Name: 4-cyanobenzenesulfonic acid; 4-(4-methoxyphenyl)-2-thiazolamine IUPAC Name: 4-cyanobenzenesulfonic acid; 4-(4-methoxyphenyl)-1,3-thiazol-2-amine Traditional Name: 4-cyanobesylic acid; [4-(4-methoxyphenyl)thiazol-2-yl]amine Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=CC=C1C#N)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N.C1=CC(=CC=C1C#N)S(=O)(=O)O

InChI

InChI=1S/C10H10N2OS.C7H5NO3S/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9;8-5-6-1-3-7(4-2-6)12(9,10)11/h2-6H,1H3,(H2,11,12);1-4H,(H,9,10,11)