1,3-benzothiazol-2-amine; 1-(2-methylquinolin-3-yl)ethanone

Systemtic Name: 1,3-benzothiazol-2-amine; 1-(2-methylquinolin-3-yl)ethanone Openeye Name: 1,3-benzothiazol-2-amine; 1-(2-methyl-3-quinolyl)ethanone CAS Name: 1,3-benzothiazol-2-amine; 1-(2-methyl-3-quinolinyl)ethanone IUPAC Name: 1,3-benzothiazol-2-amine; 1-(2-methylquinolin-3-yl)ethanone Traditional Name: 1,3-benzothiazol-2-ylamine; 1-(2-methyl-3-quinolyl)ethanone Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C=C1C(=O)C.C1=CC=C2C(=C1)N=C(S2)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C=C1C(=O)C.C1=CC=C2C(=C1)N=C(S2)N

InChI

InChI=1S/C12H11NO.C7H6N2S/c1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8;8-7-9-5-3-1-2-4-6(5)10-7/h3-7H,1-2H3;1-4H,(H2,8,9)