1,5-dimethyl-4-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methylamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(3-oxobenzothiophen-2-ylidene)methylamino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(3-oxo-1-benzothiophen-2-ylidene)methylamino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(3-oxo-1-benzothiophen-2-ylidene)methylamino]-2-phenylpyrazol-3-one Traditional Name: 4-[(3-ketobenzothiophen-2-ylidene)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O2S/c1-13-18(20(25)23(22(13)2)14-8-4-3-5-9-14)21-12-17-19(24)15-10-6-7-11-16(15)26-17/h3-12,21H,1-2H3