ethyl 5-azanyl-1-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-pyrazole-4-carbonyl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[(5-amino-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(5-amino-3-methyl-1-phenylpyrazole-4-carbonyl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(5-amino-3-methyl-1-phenyl-pyrazole-4-carbonyl)-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C18H20N6O3S MolecularWeight: 400.4548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)N)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)N)N

InChI

InChI=1S/C18H20N6O3S/c1-4-27-18(26)13-15(20)24(22-16(13)28-3)17(25)12-10(2)21-23(14(12)19)11-8-6-5-7-9-11/h5-9H,4,19-20H2,1-3H3