(E)-1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)but-2-en-1-one Openeye Name: (E)-1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)but-2-en-1-one CAS Name: (E)-1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-buten-1-one IUPAC Name: (E)-1-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)but-2-en-1-one Traditional Name: (E)-1-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]but-2-en-1-one Formula: C7H10N4OS MolecularWeight: 198.2455

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1C(=NC(=N1)SC)N

Isomeric SMILES

C/C=C/C(=O)N1C(=NC(=N1)SC)N

InChI

InChI=1S/C7H10N4OS/c1-3-4-5(12)11-6(8)9-7(10-11)13-2/h3-4H,1-2H3,(H2,8,9,10)/b4-3+