2-ethyl-3-(hydroxymethyl)-2,4-bis(oxidanyl)-1-(1,2,4-triazol-1-yl)butane-1-thione

Systemtic Name: 2-ethyl-3-(hydroxymethyl)-2,4-bis(oxidanyl)-1-(1,2,4-triazol-1-yl)butane-1-thione Openeye Name: 2-ethyl-2,4-dihydroxy-3-(hydroxymethyl)-1-(1,2,4-triazol-1-yl)butane-1-thione CAS Name: 2-ethyl-2,4-dihydroxy-3-(hydroxymethyl)-1-(1,2,4-triazol-1-yl)-1-butanethione IUPAC Name: 2-ethyl-2,4-dihydroxy-3-(hydroxymethyl)-1-(1,2,4-triazol-1-yl)butane-1-thione Traditional Name: 2-ethyl-2,4-dihydroxy-3-methylol-1-(1,2,4-triazol-1-yl)butane-1-thione Formula: C9H15N3O3S MolecularWeight: 245.2987

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CO)CO)(C(=S)N1C=NC=N1)O

Isomeric SMILES

CCC(C(CO)CO)(C(=S)N1C=NC=N1)O

InChI

InChI=1S/C9H15N3O3S/c1-2-9(15,7(3-13)4-14)8(16)12-6-10-5-11-12/h5-7,13-15H,2-4H2,1H3