5,6-dimethyl-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5,6-dimethyl-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 5,6-dimethyl-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)vinyl]-1,3-benzothiazole CAS Name: 5,6-dimethyl-2-[(E)-2-[3-nitro-4-(2-pyrimidinylthio)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 5,6-dimethyl-2-[(E)-2-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 5,6-dimethyl-2-[(E)-2-[3-nitro-4-(2-pyrimidylthio)phenyl]vinyl]-1,3-benzothiazole Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S2/c1-13-10-16-19(11-14(13)2)28-20(24-16)7-5-15-4-6-18(17(12-15)25(26)27)29-21-22-8-3-9-23-21/h3-12H,1-2H3/b7-5+