4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-thiophen-3-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-thiophen-3-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-(3-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-(3,5-dimethyl-2-pyrrolylidene)methyl]-5-(3-thiophenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-thiophen-3-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-(3-thienyl)-3-pyrazolin-3-one Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC1=CC2=C(NNC2=O)C3=CSC=C3)C

Isomeric SMILES

CC\1=CC(=N/C1=C/C2=C(NNC2=O)C3=CSC=C3)C

InChI

InChI=1S/C14H13N3OS/c1-8-5-9(2)15-12(8)6-11-13(16-17-14(11)18)10-3-4-19-7-10/h3-7H,1-2H3,(H2,16,17,18)/b12-6+