4-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 4-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 4-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 4-[[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 4-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 4-[[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C24H23BrN4S MolecularWeight: 479.43522

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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)Br)SCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC4=CC=NC=C4

InChI

InChI=1S/C24H23BrN4S/c1-24(2,3)19-6-4-18(5-7-19)22-27-28-23(30-16-17-12-14-26-15-13-17)29(22)21-10-8-20(25)9-11-21/h4-15H,16H2,1-3H3