2-[(4-methylphenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 6-nitro-2-(p-tolylmethylsulfanyl)-1,3-benzothiazole CAS Name: 2-[(4-methylphenyl)methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(4-methylbenzyl)thio]-6-nitro-1,3-benzothiazole Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O2S2/c1-10-2-4-11(5-3-10)9-20-15-16-13-7-6-12(17(18)19)8-14(13)21-15/h2-8H,9H2,1H3