3-[3-[(2-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-bromophenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-bromophenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-bromobenzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]propionamide Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CO3)Br

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CO3)Br

InChI

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