2-[(5-bromanyl-2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(5-bromanyl-2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(5-bromo-2-methyl-thiazol-4-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(5-bromo-2-methyl-4-thiazolyl)methylthio]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(5-bromo-2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(5-bromo-2-methyl-thiazol-4-yl)methylthio]-5-nitro-1,3-benzothiazole Formula: C12H8BrN3O2S3 MolecularWeight: 402.30982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)Br)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(S1)Br)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H8BrN3O2S3/c1-6-14-9(11(13)20-6)5-19-12-15-8-4-7(16(17)18)2-3-10(8)21-12/h2-4H,5H2,1H3