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

Systemtic Name: 4-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C16H15BrN4OS2 MolecularWeight: 423.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4OS2/c17-12-7-5-11(6-8-12)13(22)3-1-10-24-16-20-19-15(21(16)18)14-4-2-9-23-14/h2,4-9H,1,3,10,18H2