1-(4-bromophenyl)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H20BrN3OS/c19-14-7-5-12(6-8-14)16(23)2-1-11-24-18-21-20-17(13-3-4-13)22(18)15-9-10-15/h5-8,13,15H,1-4,9-11H2