(4E)-2-(4-iodophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one

Systemtic Name: (4E)-2-(4-iodophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Openeye Name: (4E)-2-(4-iodophenyl)-5-methyl-4-(2-thienylmethylene)pyrazol-3-one CAS Name: (4E)-2-(4-iodophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)-3-pyrazolone IUPAC Name: (4E)-2-(4-iodophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Traditional Name: (4E)-2-(4-iodophenyl)-5-methyl-4-(2-thenylidene)-2-pyrazolin-3-one Formula: C15H11IN2OS MolecularWeight: 394.23011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=C(C=C3)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H11IN2OS/c1-10-14(9-13-3-2-8-20-13)15(19)18(17-10)12-6-4-11(16)5-7-12/h2-9H,1H3/b14-9+