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

Systemtic Name: 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)butan-1-one Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H17BrN4OS/c16-12-7-5-10(6-8-12)13(21)2-1-9-22-15-19-18-14(20(15)17)11-3-4-11/h5-8,11H,1-4,9,17H2