6-[5-bromanyl-2-[(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methylamino]phenyl]-3-propylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[5-bromanyl-2-[(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methylamino]phenyl]-3-propylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-[5-bromo-2-[(3-methylene-5-oxo-1-phenyl-pyrazolidin-4-ylidene)methylamino]phenyl]-3-propylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-[5-bromo-2-[(3-methylene-5-oxo-1-phenyl-4-pyrazolidinylidene)methylamino]phenyl]-3-(propylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[5-bromo-2-[(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methylamino]phenyl]-3-propylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-[5-bromo-2-[(5-keto-3-methylene-1-phenyl-pyrazolidin-4-ylidene)methylamino]phenyl]-3-(propylthio)-2H-1,2,4-triazin-5-one Formula: C23H21BrN6O2S MolecularWeight: 525.42084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)NC=C3C(=C)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NC(=O)C(=NN1)C2=C(C=CC(=C2)Br)NC=C3C(=C)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN6O2S/c1-3-11-33-23-26-21(31)20(27-28-23)17-12-15(24)9-10-19(17)25-13-18-14(2)29-30(22(18)32)16-7-5-4-6-8-16/h4-10,12-13,25,29H,2-3,11H2,1H3,(H,26,28,31)