1,5-dimethyl-2-phenyl-4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]-3-pyrazolin-3-one Formula: C14H14N6OS MolecularWeight: 314.36556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=S)NN=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=S)NN=C3

InChI

InChI=1S/C14H14N6OS/c1-9-12(16-11-8-15-18-14(22)17-11)13(21)20(19(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,16,17,18,22)