2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C16H15N3O3S2 MolecularWeight: 361.4386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3S2/c1-9-6-12(10(2)18(9)3)14(20)8-23-16-17-13-5-4-11(19(21)22)7-15(13)24-16/h4-7H,8H2,1-3H3