3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioate

Systemtic Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioate Openeye Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioate CAS Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioate IUPAC Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)butanethioate Traditional Name: 3,3-dimethyl-2-(1,2,4-triazol-1-yl)thiobutyrate Formula: C8H12N3OS- MolecularWeight: 198.26538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=S)[O-])N1C=NC=N1

Isomeric SMILES

CC(C)(C)C(C(=S)[O-])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)/p-1