3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole Formula: C28H30ClN3OS MolecularWeight: 492.0753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C28H30ClN3OS/c1-18-14-21(28(3,4)5)15-19(2)23(18)17-34-27-31-30-26(20-10-8-7-9-11-20)32(27)22-12-13-25(33-6)24(29)16-22/h7-16H,17H2,1-6H3