(3Z)-3-[(1-methylpyrazol-4-yl)methylidene]thiochromen-4-one

Systemtic Name: (3Z)-3-[(1-methylpyrazol-4-yl)methylidene]thiochromen-4-one Openeye Name: (3Z)-3-[(1-methylpyrazol-4-yl)methylene]thiochroman-4-one CAS Name: (3Z)-3-[(1-methyl-4-pyrazolyl)methylidene]-1-benzothiopyran-4-one IUPAC Name: (3Z)-3-[(1-methylpyrazol-4-yl)methylidene]thiochromen-4-one Traditional Name: (3Z)-3-[(1-methylpyrazol-4-yl)methylene]thiochroman-4-one Formula: C14H12N2OS MolecularWeight: 256.32288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C2CSC3=CC=CC=C3C2=O

Isomeric SMILES

CN1C=C(C=N1)/C=C/2\CSC3=CC=CC=C3C2=O

InChI

InChI=1S/C14H12N2OS/c1-16-8-10(7-15-16)6-11-9-18-13-5-3-2-4-12(13)14(11)17/h2-8H,9H2,1H3/b11-6+