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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)butan-1-one Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3OS/c23-19-12-10-17(11-13-19)20(27)7-4-14-28-22-25-24-21(18-8-9-18)26(22)15-16-5-2-1-3-6-16/h1-3,5-6,10-13,18H,4,7-9,14-15H2