N-[(1S)-1-(2-bromophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H15BrN4OS2 MolecularWeight: 423.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Br)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H15BrN4OS2/c1-10(11-5-2-3-6-12(11)17)18-14(22)9-21-15(19-20-16(21)23)13-7-4-8-24-13/h2-8,10H,9H2,1H3,(H,18,22)(H,20,23)/t10-/m0/s1