3-(2-chloranyl-5-nitro-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C11H11ClN4O2S MolecularWeight: 298.74864

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCC#N)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H11ClN4O2S/c1-15(6-2-5-13)11(19)14-10-7-8(16(17)18)3-4-9(10)12/h3-4,7H,2,6H2,1H3,(H,14,19)