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

Systemtic Name: 4-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C23H21BrN4OS MolecularWeight: 481.40804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN4OS/c24-19-12-10-17(11-13-19)21(29)9-4-14-30-23-27-26-22(28(23)25)15-18-7-3-6-16-5-1-2-8-20(16)18/h1-3,5-8,10-13H,4,9,14-15,25H2