1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1,5-dimethyl-2-pyrrolyl)methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Formula: C16H20ClN3S MolecularWeight: 321.8681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC1=CC=C(N1C)CNC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C16H20ClN3S/c1-10-7-11(2)15(14(17)8-10)19-16(21)18-9-13-6-5-12(3)20(13)4/h5-8H,9H2,1-4H3,(H2,18,19,21)