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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C24H21BrN4OS MolecularWeight: 493.41874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C24H21BrN4OS/c25-21-12-10-19(11-13-21)22(30)9-5-15-31-24-28-27-23(20-8-4-14-26-16-20)29(24)17-18-6-2-1-3-7-18/h1-4,6-8,10-14,16H,5,9,15,17H2