3-[2-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1H-indole-2-carboxylate

Systemtic Name: 3-[2-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1H-indole-2-carboxylate Openeye Name: 3-[2-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1H-indole-2-carboxylate IUPAC Name: 3-[2-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethyl]-1H-indole-2-carboxylate Formula: C18H14N5O2S- MolecularWeight: 364.40106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])CCN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])CCN3C(=NNC3=S)C4=CC=NC=C4

InChI

InChI=1S/C18H15N5O2S/c24-17(25)15-13(12-3-1-2-4-14(12)20-15)7-10-23-16(21-22-18(23)26)11-5-8-19-9-6-11/h1-6,8-9,20H,7,10H2,(H,22,26)(H,24,25)/p-1