methyl N-[(2-nitro-4-prop-2-ynylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-nitro-4-prop-2-ynylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-nitro-4-prop-2-ynylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-nitro-4-(prop-2-ynylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-nitro-4-prop-2-ynylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-nitro-4-(propargylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC#C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC#C)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S2/c1-3-6-21-8-4-5-9(10(7-8)15(17)18)13-11(20)14-12(16)19-2/h1,4-5,7H,6H2,2H3,(H2,13,14,16,20)