2-(1-methyl-5-nitro-imidazol-2-yl)-5-prop-2-ynylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-prop-2-ynylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-prop-2-ynylsulfanyl-1,3,4-thiadiazole CAS Name: 2-(1-methyl-5-nitro-2-imidazolyl)-5-(prop-2-ynylthio)-1,3,4-thiadiazole IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)-5-prop-2-ynylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-(propargylthio)-1,3,4-thiadiazole Formula: C9H7N5O2S2 MolecularWeight: 281.31418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)SCC#C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)SCC#C)[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O2S2/c1-3-4-17-9-12-11-8(18-9)7-10-5-6(13(7)2)14(15)16/h1,5H,4H2,2H3