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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-chloranyl-5-nitro-phenyl)-1-ethyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-1-ethylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[(3S)-1,1-diketothiolan-3-yl]-1-ethyl-thiourea Formula: C13H16ClN3O4S2 MolecularWeight: 377.86684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4S2/c1-2-16(10-5-6-23(20,21)8-10)13(22)15-12-7-9(17(18)19)3-4-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3,(H,15,22)/t10-/m0/s1