1-(2-chloranyl-5-nitro-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(1,5-dimethyl-2-pyrrolyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(N1C)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H15ClN4O2S/c1-9-3-4-11(18(9)2)8-16-14(22)17-13-7-10(19(20)21)5-6-12(13)15/h3-7H,8H2,1-2H3,(H2,16,17,22)