2-[5-(4-methylphenyl)-3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[5-(4-methylphenyl)-3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3-benzothiazole Openeye Name: 2-[3-benzylsulfanyl-5-(p-tolyl)-1,2,4-triazol-1-yl]-1,3-benzothiazole CAS Name: 2-[5-(4-methylphenyl)-3-(phenylmethylthio)-1,2,4-triazol-1-yl]-1,3-benzothiazole IUPAC Name: 2-[3-benzylsulfanyl-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-1,3-benzothiazole Traditional Name: 2-[3-(benzylthio)-5-(p-tolyl)-1,2,4-triazol-1-yl]-1,3-benzothiazole Formula: C23H18N4S2 MolecularWeight: 414.54582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=NC4=CC=CC=C4S3)SCC5=CC=CC=C5

InChI

InChI=1S/C23H18N4S2/c1-16-11-13-18(14-12-16)21-25-22(28-15-17-7-3-2-4-8-17)26-27(21)23-24-19-9-5-6-10-20(19)29-23/h2-14H,15H2,1H3