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

Systemtic Name: 3-[3-[(3-bromophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(3-bromophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3-bromophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(3-bromophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3-bromobenzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C16H15BrN4OS2 MolecularWeight: 423.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C16H15BrN4OS2/c17-12-4-1-3-11(9-12)10-24-16-20-19-15(13-5-2-8-23-13)21(16)7-6-14(18)22/h1-5,8-9H,6-7,10H2,(H2,18,22)