3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3S/c1-19-11-12-20(2)22(17-19)18-31-26-29-28-25(30(26)24-9-7-6-8-10-24)21-13-15-23(16-14-21)27(3,4)5/h6-17H,18H2,1-5H3