4-(3-oxidanylidene-3a,4-dihydrothiochromeno[4,3-c]pyrazol-2-yl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3a,4-dihydrothiochromeno[4,3-c]pyrazol-2-yl)benzoic acid Openeye Name: 4-(3-oxo-3a,4-dihydrothiochromeno[4,3-c]pyrazol-2-yl)benzoic acid CAS Name: 4-(3-oxo-3a,4-dihydrothiochromeno[4,3-c]pyrazol-2-yl)benzoic acid IUPAC Name: 4-(3-oxo-3a,4-dihydrothiochromeno[4,3-c]pyrazol-2-yl)benzoic acid Traditional Name: 4-(3-keto-3a,4-dihydrothiochromeno[4,3-c]pyrazol-2-yl)benzoic acid Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4S1

Isomeric SMILES

C1C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4S1

InChI

InChI=1S/C17H12N2O3S/c20-16-13-9-23-14-4-2-1-3-12(14)15(13)18-19(16)11-7-5-10(6-8-11)17(21)22/h1-8,13H,9H2,(H,21,22)