N-[(1R)-1-(4-bromophenyl)propyl]-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide

Systemtic Name: N-[(1R)-1-(4-bromophenyl)propyl]-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide Openeye Name: N-[(1R)-1-(4-bromophenyl)propyl]-3-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)propanamide CAS Name: N-[(1R)-1-(4-bromophenyl)propyl]-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide IUPAC Name: N-[(1R)-1-(4-bromophenyl)propyl]-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide Traditional Name: N-[(1R)-1-(4-bromophenyl)propyl]-3-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)propionamide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)CCC2=NNC(=S)NC2=O

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)CCC2=NNC(=S)NC2=O

InChI

InChI=1S/C15H17BrN4O2S/c1-2-11(9-3-5-10(16)6-4-9)17-13(21)8-7-12-14(22)18-15(23)20-19-12/h3-6,11H,2,7-8H2,1H3,(H,17,21)(H2,18,20,22,23)/t11-/m1/s1