2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanoic acid

Systemtic Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanoic acid Openeye Name: 2-(3-allyloxyphenyl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)acetic acid CAS Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)acetic acid IUPAC Name: 2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)acetic acid Traditional Name: 2-(3-allyloxyphenyl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)acetic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)O)N2C=CC3=C(C2=S)C=NN3

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)O)N2C=CC3=C(C2=S)C=NN3

InChI

InChI=1S/C17H15N3O3S/c1-2-8-23-12-5-3-4-11(9-12)15(17(21)22)20-7-6-14-13(16(20)24)10-18-19-14/h2-7,9-10,15H,1,8H2,(H,18,19)(H,21,22)