4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(1R,2R)-2-phenylcyclopropyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H]([C@@H]1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C18H15N3O2S/c22-17(23)12-6-8-13(9-7-12)21-16(19-20-18(21)24)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H,20,24)(H,22,23)/t14-,15+/m0/s1