1-(4-bromophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H18BrN3OS/c1-13(18(25)14-9-11-16(21)12-10-14)26-20-23-22-19(15-7-8-15)24(20)17-5-3-2-4-6-17/h2-6,9-13,15H,7-8H2,1H3