3-[5-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-bromophenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-bromobenzyl)thio]-4-isobutyl-1,2,4-triazol-3-yl]pyridine Formula: C18H19BrN4S MolecularWeight: 403.33926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C18H19BrN4S/c1-13(2)11-23-17(15-4-3-9-20-10-15)21-22-18(23)24-12-14-5-7-16(19)8-6-14/h3-10,13H,11-12H2,1-2H3