(2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)propan-1-one

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)propan-1-one Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)propan-1-one CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)-1-propanone IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)propan-1-one Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)propan-1-one Formula: C11H11BrN4OS MolecularWeight: 327.20024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=N2)N

InChI

InChI=1S/C11H11BrN4OS/c1-6(18-11-14-10(13)15-16-11)9(17)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,16)/t6-/m1/s1