4-ethylbenzenesulfonic acid; 4-phenyl-1,3-thiazol-2-amine

Systemtic Name: 4-ethylbenzenesulfonic acid; 4-phenyl-1,3-thiazol-2-amine Openeye Name: 4-ethylbenzenesulfonic acid; 4-phenylthiazol-2-amine CAS Name: 4-ethylbenzenesulfonic acid; 4-phenyl-2-thiazolamine IUPAC Name: 4-ethylbenzenesulfonic acid; 4-phenyl-1,3-thiazol-2-amine Traditional Name: 4-ethylbesylic acid; (4-phenylthiazol-2-yl)amine Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CSC(=N2)N

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CSC(=N2)N

InChI

InChI=1S/C9H8N2S.C8H10O3S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;1-2-7-3-5-8(6-4-7)12(9,10)11/h1-6H,(H2,10,11);3-6H,2H2,1H3,(H,9,10,11)