3-(1,5-diphenyl-1,2,3-triazol-4-yl)-2-oxidanylidene-propanethioic S-acid

Systemtic Name: 3-(1,5-diphenyl-1,2,3-triazol-4-yl)-2-oxidanylidene-propanethioic S-acid Openeye Name: 3-(1,5-diphenyltriazol-4-yl)-2-oxo-propanethioic S-acid CAS Name: 3-(1,5-diphenyl-4-triazolyl)-2-oxopropanethioic S-acid IUPAC Name: 3-(1,5-diphenyltriazol-4-yl)-2-oxopropanethioic S-acid Traditional Name: 3-(1,5-diphenyltriazol-4-yl)-2-keto-thiopropionic acid Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)CC(=O)C(=O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)CC(=O)C(=O)S

InChI

InChI=1S/C17H13N3O2S/c21-15(17(22)23)11-14-16(12-7-3-1-4-8-12)20(19-18-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,22,23)