ethyl 3-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoate

Systemtic Name: ethyl 3-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoate Openeye Name: ethyl 3-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoate CAS Name: 3-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-3-phenyl-1-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-3-phenylpyrazol-1-yl]propanoate Traditional Name: 3-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propionic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=C(C(=N1)C2=CC=CC=C2)C=C(C#N)C(=S)N

Isomeric SMILES

CCOC(=O)CCN1C=C(C(=N1)C2=CC=CC=C2)C=C(C#N)C(=S)N

InChI

InChI=1S/C18H18N4O2S/c1-2-24-16(23)8-9-22-12-15(10-14(11-19)18(20)25)17(21-22)13-6-4-3-5-7-13/h3-7,10,12H,2,8-9H2,1H3,(H2,20,25)