4-(4-bromophenyl)-3-(4-tert-butylphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-5-isobutylsulfanyl-1,2,4-triazole CAS Name: 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-5-(2-methylpropylthio)-1,2,4-triazole IUPAC Name: 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-bromophenyl)-3-(4-tert-butylphenyl)-5-(isobutylthio)-1,2,4-triazole Formula: C22H26BrN3S MolecularWeight: 444.43094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26BrN3S/c1-15(2)14-27-21-25-24-20(26(21)19-12-10-18(23)11-13-19)16-6-8-17(9-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3