1,3-benzothiazol-2-amine; ethanedioate; 1-fluoranyl-4-methyl-benzene

Systemtic Name: 1,3-benzothiazol-2-amine; ethanedioate; 1-fluoranyl-4-methyl-benzene Openeye Name: 1,3-benzothiazol-2-amine; 1-fluoro-4-methyl-benzene; oxalate CAS Name: 1,3-benzothiazol-2-amine; 1-fluoro-4-methylbenzene; oxalate IUPAC Name: 1,3-benzothiazol-2-amine; 1-fluoro-4-methylbenzene; oxalate Traditional Name: 1,3-benzothiazol-2-ylamine; 1-fluoro-4-methyl-benzene; oxalate Formula: C16H13FN2O4S-2 MolecularWeight: 348.348823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)F.C1=CC=C2C(=C1)N=C(S2)N.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)F.C1=CC=C2C(=C1)N=C(S2)N.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C7H7F.C7H6N2S.C2H2O4/c1-6-2-4-7(8)5-3-6;8-7-9-5-3-1-2-4-6(5)10-7;3-1(4)2(5)6/h2-5H,1H3;1-4H,(H2,8,9);(H,3,4)(H,5,6)/p-2