ethyl 5-(5-methylsulfanylthiophen-2-yl)-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(5-methylsulfanylthiophen-2-yl)-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(5-methylsulfanyl-2-thienyl)-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 5-[5-(methylthio)-2-thiophenyl]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(5-methylsulfanylthiophen-2-yl)-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 5-[5-(methylthio)-2-thienyl]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(S2)SC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(S2)SC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S2/c1-3-24-17(21)13-10-14(15-8-9-16(25-2)26-15)19(18-13)11-4-6-12(7-5-11)20(22)23/h4-10H,3H2,1-2H3