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

Systemtic Name: N'-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylideneamino]ethanediamide Openeye Name: N'-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methyleneamino]oxamide CAS Name: N'-[(Z)-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]methylideneamino]oxamide IUPAC Name: N'-[(Z)-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylideneamino]oxamide Traditional Name: N'-[(Z)-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methyleneamino]oxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-2-12-29-18-10-8-15(9-11-18)19-16(13-23-24-21(28)20(22)27)14-26(25-19)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3,(H2,22,27)(H,24,28)/b23-13-