7-(benzotriazol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3-benzoxazole

Systemtic Name: 7-(benzotriazol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3-benzoxazole Openeye Name: 7-(benzotriazol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3-benzoxazole CAS Name: 7-(2-benzotriazolyl)-2-[(4-chlorophenyl)methylthio]-5-methyl-1,3-benzoxazole IUPAC Name: 7-(benzotriazol-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3-benzoxazole Traditional Name: 7-(benzotriazol-2-yl)-2-[(4-chlorobenzyl)thio]-5-methyl-1,3-benzoxazole Formula: C21H15ClN4OS MolecularWeight: 406.888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=N2)SCC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=C(C(=C1)N3N=C4C=CC=CC4=N3)OC(=N2)SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H15ClN4OS/c1-13-10-18-20(19(11-13)26-24-16-4-2-3-5-17(16)25-26)27-21(23-18)28-12-14-6-8-15(22)9-7-14/h2-11H,12H2,1H3