2-methyl-3-oxidanyl-3-phenyl-4-(1,2,4-triazol-1-yl)butanethioamide

Systemtic Name: 2-methyl-3-oxidanyl-3-phenyl-4-(1,2,4-triazol-1-yl)butanethioamide Openeye Name: 3-hydroxy-2-methyl-3-phenyl-4-(1,2,4-triazol-1-yl)butanethioamide CAS Name: 3-hydroxy-2-methyl-3-phenyl-4-(1,2,4-triazol-1-yl)butanethioamide IUPAC Name: 3-hydroxy-2-methyl-3-phenyl-4-(1,2,4-triazol-1-yl)butanethioamide Traditional Name: 3-hydroxy-2-methyl-3-phenyl-4-(1,2,4-triazol-1-yl)thiobutyramide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)N)C(CN1C=NC=N1)(C2=CC=CC=C2)O

Isomeric SMILES

CC(C(=S)N)C(CN1C=NC=N1)(C2=CC=CC=C2)O

InChI

InChI=1S/C13H16N4OS/c1-10(12(14)19)13(18,7-17-9-15-8-16-17)11-5-3-2-4-6-11/h2-6,8-10,18H,7H2,1H3,(H2,14,19)