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

Systemtic Name: 4-[(E)-[3,5-dimethyl-4-(2-phenylazanylethyl)pyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-anilinoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-anilinoethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-anilinoethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-anilinoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=CC=CS3)C)CCNC4=CC=CC=C4

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3=CC=CS3)C)CCNC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-14-17(10-11-23-16-7-4-3-5-8-16)15(2)24-19(14)13-18-21(25-26-22(18)27)20-9-6-12-28-20/h3-9,12-13,23H,10-11H2,1-2H3,(H2,25,26,27)/b19-13+