2-[2-(4-methoxyphenyl)ethynyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[2-(4-methoxyphenyl)ethynyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[2-(4-methoxyphenyl)ethynyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[2-(4-methoxyphenyl)ethynyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[2-(4-methoxyphenyl)ethynyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[2-(4-methoxyphenyl)ethynyl]-6-nitro-1,3-benzothiazole Formula: C16H10N2O3S MolecularWeight: 310.3272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O3S/c1-21-13-6-2-11(3-7-13)4-9-16-17-14-8-5-12(18(19)20)10-15(14)22-16/h2-3,5-8,10H,1H3