1-(3-chlorophenyl)-3-[3-(4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)phenyl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[3-(4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)phenyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[3-(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)phenyl]urea CAS Name: 1-(3-chlorophenyl)-3-[3-(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)phenyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[3-(4-cyclohexyl-5-oxo-1H-1,2,4-triazol-3-yl)phenyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[3-(4-cyclohexyl-5-keto-1H-1,2,4-triazol-3-yl)phenyl]urea Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NNC2=O)C3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NNC2=O)C3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c22-15-7-5-9-17(13-15)24-20(28)23-16-8-4-6-14(12-16)19-25-26-21(29)27(19)18-10-2-1-3-11-18/h4-9,12-13,18H,1-3,10-11H2,(H,26,29)(H2,23,24,28)