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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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