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

Systemtic Name: 4-[(E)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methyl-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[3-cyclopropyl-4-(diethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC2=C(NNC2=O)C3=CC=CS3)N=C1C)C4CC4

Isomeric SMILES

CCN(CC)CC1=C(/C(=C\C2=C(NNC2=O)C3=CC=CS3)/N=C1C)C4CC4

InChI

InChI=1S/C21H26N4OS/c1-4-25(5-2)12-16-13(3)22-17(19(16)14-8-9-14)11-15-20(23-24-21(15)26)18-7-6-10-27-18/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3,(H2,23,24,26)/b17-11+