3-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]propanamide

Systemtic Name: 3-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]propanamide Openeye Name: 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(4-methylsulfanylphenyl)methyleneamino]propanamide CAS Name: 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-[4-(methylthio)phenyl]methylideneamino]propanamide IUPAC Name: 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]propanamide Traditional Name: 3-(3-keto-5-methyl-2-pyrazolin-4-yl)-N-[(E)-[4-(methylthio)benzylidene]amino]propionamide Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1CCC(=O)NN=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=NNC(=O)C1CCC(=O)N/N=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C15H18N4O2S/c1-10-13(15(21)19-17-10)7-8-14(20)18-16-9-11-3-5-12(22-2)6-4-11/h3-6,9,13H,7-8H2,1-2H3,(H,18,20)(H,19,21)/b16-9+