(3S)-3-phenyl-4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate

Systemtic Name: (3S)-3-phenyl-4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate Openeye Name: (3S)-3-phenyl-4-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butanoate CAS Name: (3S)-3-phenyl-4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate IUPAC Name: (3S)-3-phenyl-4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate Traditional Name: (3S)-3-phenyl-4-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butyrate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CN2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CN2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c22-15(23)10-14(12-4-2-1-3-5-12)11-21-16(19-20-17(21)24)13-6-8-18-9-7-13/h1-9,14H,10-11H2,(H,20,24)(H,22,23)/p-1/t14-/m1/s1