3-[4-[4,6-bis(chloranyl)-5-methyl-pyridin-2-yl]sulfanyl-3-methyl-phenyl]-1-hex-3-yn-2-yl-1-methyl-urea

Systemtic Name: 3-[4-[4,6-bis(chloranyl)-5-methyl-pyridin-2-yl]sulfanyl-3-methyl-phenyl]-1-hex-3-yn-2-yl-1-methyl-urea Openeye Name: 3-[4-[(4,6-dichloro-5-methyl-2-pyridyl)sulfanyl]-3-methyl-phenyl]-1-methyl-1-(1-methylpent-2-ynyl)urea CAS Name: 3-[4-[(4,6-dichloro-5-methyl-2-pyridinyl)thio]-3-methylphenyl]-1-hex-3-yn-2-yl-1-methylurea IUPAC Name: 3-[4-(4,6-dichloro-5-methylpyridin-2-yl)sulfanyl-3-methylphenyl]-1-hex-3-yn-2-yl-1-methylurea Traditional Name: 3-[4-[(4,6-dichloro-5-methyl-2-pyridyl)thio]-3-methyl-phenyl]-1-methyl-1-(1-methylpent-2-ynyl)urea Formula: C21H23Cl2N3OS MolecularWeight: 436.39782

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C)N(C)C(=O)NC1=CC(=C(C=C1)SC2=NC(=C(C(=C2)Cl)C)Cl)C

Isomeric SMILES

CCC#CC(C)N(C)C(=O)NC1=CC(=C(C=C1)SC2=NC(=C(C(=C2)Cl)C)Cl)C

InChI

InChI=1S/C21H23Cl2N3OS/c1-6-7-8-14(3)26(5)21(27)24-16-9-10-18(13(2)11-16)28-19-12-17(22)15(4)20(23)25-19/h9-12,14H,6H2,1-5H3,(H,24,27)