(2E)-1-(3-nitrophenyl)-2-[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ethanone

Systemtic Name: (2E)-1-(3-nitrophenyl)-2-[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ethanone Openeye Name: (2E)-2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(3-nitrophenyl)ethanone CAS Name: (2E)-1-(3-nitrophenyl)-2-[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ethanone IUPAC Name: (2E)-2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(3-nitrophenyl)ethanone Traditional Name: (2E)-2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(3-nitrophenyl)ethanone Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN\2C3=CC=CC=C3S/C2=C/C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O3S/c25-20(17-9-6-10-18(13-17)24(26)27)14-22-23(15-16-7-2-1-3-8-16)19-11-4-5-12-21(19)28-22/h1-14H,15H2/b22-14+