3-(2-chloranyl-5-nitro-phenyl)-1,1-bis(2-methoxyethyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1,1-bis(2-methoxyethyl)thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1,1-bis(2-methoxyethyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1,1-bis(2-methoxyethyl)thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1,1-bis(2-methoxyethyl)thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1,1-bis(2-methoxyethyl)thiourea Formula: C13H18ClN3O4S MolecularWeight: 347.81772

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

COCCN(CCOC)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O4S/c1-20-7-5-16(6-8-21-2)13(22)15-12-9-10(17(18)19)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3,(H,15,22)