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

Systemtic Name: 5-(1-benzothiophen-3-yl)-4-[(Z)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(benzothiophen-3-yl)-4-[(Z)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-(1-benzothiophen-3-yl)-4-[(Z)-(3,5-dimethyl-2-pyrrolylidene)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(1-benzothiophen-3-yl)-4-[(Z)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(benzothiophen-3-yl)-4-[(Z)-(3,5-dimethylpyrrol-2-ylidene)methyl]-3-pyrazolin-3-one Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC1=CC2=C(NNC2=O)C3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC\1=CC(=N/C1=C\C2=C(NNC2=O)C3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C18H15N3OS/c1-10-7-11(2)19-15(10)8-13-17(20-21-18(13)22)14-9-23-16-6-4-3-5-12(14)16/h3-9H,1-2H3,(H2,20,21,22)/b15-8-