2-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole Openeye Name: 2-[4-(p-tolylsulfanylmethyl)phenyl]-1,3-benzothiazole CAS Name: 2-[4-[[(4-methylphenyl)thio]methyl]phenyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-1,3-benzothiazole Traditional Name: 2-[4-[(p-tolylthio)methyl]phenyl]-1,3-benzothiazole Formula: C21H17NS2 MolecularWeight: 347.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NS2/c1-15-6-12-18(13-7-15)23-14-16-8-10-17(11-9-16)21-22-19-4-2-3-5-20(19)24-21/h2-13H,14H2,1H3