2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-nitrophenyl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-nitrophenyl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-nitrophenyl)sulfanyl-1-phenyl-ethanone CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-[(2-nitrophenyl)thio]-1-phenylethanone IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-nitrophenyl)sulfanyl-1-phenylethanone Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-[(2-nitrophenyl)thio]-1-phenyl-ethanone Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3S2)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3S2)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O3S2/c24-19(14-8-2-1-3-9-14)20(21-22-15-10-4-6-12-17(15)28-21)27-18-13-7-5-11-16(18)23(25)26/h1-13,22H