1-[2-[5-(3-chloranyl-4-methoxy-phenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[2-[5-(3-chloranyl-4-methoxy-phenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[2-[5-(3-chloro-4-methoxy-phenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[2-[5-(3-chloro-4-methoxy-phenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-[4-(methylthio)phenyl]urea Formula: C29H31ClN6O2S MolecularWeight: 563.11344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2CCN(C3CCCC3)C(=O)NC4=CC=C(C=C4)SC)C5=CC=NC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2CCN(C3CCCC3)C(=O)NC4=CC=C(C=C4)SC)C5=CC=NC=C5)Cl

InChI

InChI=1S/C29H31ClN6O2S/c1-38-26-12-7-21(19-25(26)30)28-33-27(20-13-15-31-16-14-20)34-36(28)18-17-35(23-5-3-4-6-23)29(37)32-22-8-10-24(39-2)11-9-22/h7-16,19,23H,3-6,17-18H2,1-2H3,(H,32,37)