2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetic acid CAS Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetic acid Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)CC(=O)O

InChI

InChI=1S/C11H11N3O2S/c15-10(16)6-9-12-13-11(17)14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H,15,16)