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

Systemtic Name: 4-[(E)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-yl-pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(diethylaminomethyl)-3-isopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-yl-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(diethylaminomethyl)-5-methyl-3-propan-2-ylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(diethylaminomethyl)-3-isopropyl-5-methyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-6-25(7-2)12-16-14(5)22-17(19(16)13(3)4)11-15-20(23-24-21(15)26)18-9-8-10-27-18/h8-11,13H,6-7,12H2,1-5H3,(H2,23,24,26)/b17-11+