1-(3-chlorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-(3-chlorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(3-chlorophenyl)-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-(3-chlorophenyl)-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-(3-chlorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H12ClN3O2S/c1-9-5-6-12(18(19)20)8-13(9)17-14(21)16-11-4-2-3-10(15)7-11/h2-8H,1H3,(H2,16,17,21)