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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C(=O)C2=C(N(N=C2SC)C3=CC=CC=C3)N)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C(=O)C2=C(N(N=C2SC)C3=CC=CC=C3)N)N

InChI

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