(3Z)-5-bromanyl-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one

Systemtic Name: (3Z)-5-bromanyl-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one Openeye Name: (3Z)-5-bromo-1-(1-piperidylmethyl)-3-[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]imino]indolin-2-one CAS Name: (3Z)-5-bromo-1-(1-piperidinylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]-2-indolone IUPAC Name: (3Z)-5-bromo-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one Traditional Name: (3Z)-5-bromo-1-(piperidinomethyl)-3-[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]imino]oxindole Formula: C21H20BrN7OS MolecularWeight: 498.3988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NN4C(=NNC4=S)C5=CC=NC=C5)C2=O

Isomeric SMILES

C1CCN(CC1)CN2C3=C(C=C(C=C3)Br)/C(=N/N4C(=NNC4=S)C5=CC=NC=C5)/C2=O

InChI

InChI=1S/C21H20BrN7OS/c22-15-4-5-17-16(12-15)18(20(30)28(17)13-27-10-2-1-3-11-27)26-29-19(24-25-21(29)31)14-6-8-23-9-7-14/h4-9,12H,1-3,10-11,13H2,(H,25,31)/b26-18-