2-[4-(2-phenylethanoylamino)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-phenylethanoylamino)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[4-[(2-phenylacetyl)amino]-5-thioxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[4-[(1-oxo-2-phenylethyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[4-[(2-phenylacetyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[4-[(2-phenylacetyl)amino]-5-thioxo-1,2,4-triazol-1-yl]acetic acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NN2C=NN(C2=S)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NN2C=NN(C2=S)CC(=O)O

InChI

InChI=1S/C12H12N4O3S/c17-10(6-9-4-2-1-3-5-9)14-16-8-13-15(12(16)20)7-11(18)19/h1-5,8H,6-7H2,(H,14,17)(H,18,19)