4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine; (E)-3-(furan-2-yl)prop-2-enoate

Systemtic Name: 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine; (E)-3-(furan-2-yl)prop-2-enoate Openeye Name: 4-(4-chlorophenyl)-N,3-diphenyl-thiazol-3-ium-2-amine; (E)-3-(2-furyl)prop-2-enoate CAS Name: 4-(4-chlorophenyl)-N,3-diphenyl-2-thiazol-3-iumamine; (E)-3-(2-furanyl)-2-propenoate IUPAC Name: 4-(4-chlorophenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine; (E)-3-(furan-2-yl)prop-2-enoate Traditional Name: [4-(4-chlorophenyl)-3-phenyl-thiazol-3-ium-2-yl]-phenyl-amine; (E)-3-(2-furyl)acrylate Formula: C28H21ClN2O3S MolecularWeight: 500.99594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C1=COC(=C1)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C1=COC(=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C21H15ClN2S.C7H6O3/c22-17-13-11-16(12-14-17)20-15-25-21(23-18-7-3-1-4-8-18)24(20)19-9-5-2-6-10-19;8-7(9)4-3-6-2-1-5-10-6/h1-15H;1-5H,(H,8,9)/b;4-3+