2-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 2-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 2-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 2-methyl-3-(prop-2-ynylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 2-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 2-methyl-3-(propargylthio)-1H-1,2,4-triazol-5-one Formula: C6H7N3OS MolecularWeight: 169.20428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=O)N1)SCC#C

Isomeric SMILES

CN1C(=NC(=O)N1)SCC#C

InChI

InChI=1S/C6H7N3OS/c1-3-4-11-6-7-5(10)8-9(6)2/h1H,4H2,2H3,(H,8,10)