1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-chloranyl-5-nitro-phenyl)-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-diketothiolan-3-yl]-1-methyl-thiourea Formula: C12H14ClN3O4S2 MolecularWeight: 363.84026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O4S2/c1-15(9-4-5-22(19,20)7-9)12(21)14-11-6-8(16(17)18)2-3-10(11)13/h2-3,6,9H,4-5,7H2,1H3,(H,14,21)/t9-/m0/s1