2,4-dimethyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-one

Systemtic Name: 2,4-dimethyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-one Openeye Name: 2,4-dimethyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-one CAS Name: 2,4-dimethyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-one IUPAC Name: 2,4-dimethyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-one Traditional Name: 2,4-dimethyl-5-(propargylthio)-1,2,4-triazol-3-one Formula: C7H9N3OS MolecularWeight: 183.23086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C)SCC#C

Isomeric SMILES

CN1C(=NN(C1=O)C)SCC#C

InChI

InChI=1S/C7H9N3OS/c1-4-5-12-6-8-10(3)7(11)9(6)2/h1H,5H2,2-3H3