2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C15H11N3O3S2 MolecularWeight: 345.39614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S2/c16-10-3-6-12-14(7-10)23-15(17-12)22-8-13(19)9-1-4-11(5-2-9)18(20)21/h1-7H,8,16H2