2-[2-(3-methylphenoxy)ethylsulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[2-(3-methylphenoxy)ethylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[2-(3-methylphenoxy)ethylthio]-6-nitro-1,3-benzothiazole Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S2/c1-11-3-2-4-13(9-11)21-7-8-22-16-17-14-6-5-12(18(19)20)10-15(14)23-16/h2-6,9-10H,7-8H2,1H3