N,N-dicyclohexyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4C

InChI

InChI=1S/C25H36N4OS/c1-3-28-24(22-17-11-10-12-19(22)2)26-27-25(28)31-18-23(30)29(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h10-12,17,20-21H,3-9,13-16,18H2,1-2H3