2-[(E)-2-(4-nitrophenyl)-1-phenylsulfanyl-ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-nitrophenyl)-1-phenylsulfanyl-ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-nitrophenyl)-1-phenylsulfanyl-vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-(4-nitrophenyl)-1-(phenylthio)ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-nitrophenyl)-1-phenylsulfanylethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-nitrophenyl)-1-(phenylthio)vinyl]-1,3-benzothiazole Formula: C21H14N2O2S2 MolecularWeight: 390.47806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N2O2S2/c24-23(25)16-12-10-15(11-13-16)14-20(26-17-6-2-1-3-7-17)21-22-18-8-4-5-9-19(18)27-21/h1-14H/b20-14+