1-[(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(3R,5S)-5-methyl-2-oxo-3-oxolanyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3R,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl]-3-(4-nitrophenyl)thiourea Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-7-6-10(11(16)19-7)14-12(20)13-8-2-4-9(5-3-8)15(17)18/h2-5,7,10H,6H2,1H3,(H2,13,14,20)/t7-,10+/m0/s1