3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioic S-acid

Systemtic Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioic S-acid Openeye Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioic S-acid CAS Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioic S-acid IUPAC Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioic S-acid Traditional Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)thiobutyric acid Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)S)N1C=NC=N1

Isomeric SMILES

CC(C)(C)C(C(=O)S)N1C=NC=N1

InChI

InChI=1S/C8H13N3OS/c1-8(2,3)6(7(12)13)11-5-9-4-10-11/h4-6H,1-3H3,(H,12,13)