1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(4-methoxyphenyl)urea

Systemtic Name: 1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-(4-methoxyphenyl)urea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCCC2=NN=C(N2C3CCCC3)SC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCCC2=NN=C(N2C3CCCC3)SC

InChI

InChI=1S/C19H27N5O2S/c1-26-16-11-9-14(10-12-16)21-18(25)20-13-5-8-17-22-23-19(27-2)24(17)15-6-3-4-7-15/h9-12,15H,3-8,13H2,1-2H3,(H2,20,21,25)