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

Systemtic Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-(3,5-dimethyl-2-pyrrolylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-(3,5-dimethylpyrrol-2-ylidene)methyl]-5-(2-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=CC=CS3)C

Isomeric SMILES

CC\1=CC(=N/C1=C/C2=C(NNC2=O)C3=CC=CS3)C

InChI

InChI=1S/C14H13N3OS/c1-8-6-9(2)15-11(8)7-10-13(16-17-14(10)18)12-4-3-5-19-12/h3-7H,1-2H3,(H2,16,17,18)/b11-7+