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

Systemtic Name: 4-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)butan-1-one Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O2S/c17-12-7-5-11(6-8-12)13(22)3-2-10-24-16-20-19-15(21(16)18)14-4-1-9-23-14/h1,4-9H,2-3,10,18H2