N-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: N-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: N-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: N-[(Z)-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: N-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylideneamino]acetamide Traditional Name: N-[(Z)-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methyleneamino]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-3-13-27-20-11-9-17(10-12-20)21-18(14-22-23-16(2)26)15-25(24-21)19-7-5-4-6-8-19/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)/b22-14-