4,7-dimethoxy-2-(4-methylphenyl)-6-nitro-1,3-benzothiazole

Systemtic Name: 4,7-dimethoxy-2-(4-methylphenyl)-6-nitro-1,3-benzothiazole Openeye Name: 4,7-dimethoxy-6-nitro-2-(p-tolyl)-1,3-benzothiazole CAS Name: 4,7-dimethoxy-2-(4-methylphenyl)-6-nitro-1,3-benzothiazole IUPAC Name: 4,7-dimethoxy-2-(4-methylphenyl)-6-nitro-1,3-benzothiazole Traditional Name: 4,7-dimethoxy-6-nitro-2-(p-tolyl)-1,3-benzothiazole Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C(=C3S2)OC)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C(=C3S2)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14N2O4S/c1-9-4-6-10(7-5-9)16-17-13-12(21-2)8-11(18(19)20)14(22-3)15(13)23-16/h4-8H,1-3H3