2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-1,3-benzothiazole Formula: C16H15NS2 MolecularWeight: 285.427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15NS2/c1-11-7-8-12(2)13(9-11)10-18-16-17-14-5-3-4-6-15(14)19-16/h3-9H,10H2,1-2H3