3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(2-phenoxyethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCCOC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCCOC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O2S/c1-27(2,3)20-12-10-19(11-13-20)25-29-30-26(34-17-16-33-22-8-6-5-7-9-22)31(25)21-14-15-24(32-4)23(28)18-21/h5-15,18H,16-17H2,1-4H3