3-[(4-chlorophenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C23H20ClN3S MolecularWeight: 405.943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3S/c1-16-3-9-19(10-4-16)22-25-26-23(27(22)21-13-5-17(2)6-14-21)28-15-18-7-11-20(24)12-8-18/h3-14H,15H2,1-2H3