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

Systemtic Name: 1-(4-bromophenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C19H23BrN4OS MolecularWeight: 435.38112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H23BrN4OS/c20-15-7-5-14(6-8-15)17(25)4-3-13-26-19-22-21-18(23-11-1-2-12-23)24(19)16-9-10-16/h5-8,16H,1-4,9-13H2