2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C25H33ClN4OS MolecularWeight: 473.07372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN4OS/c1-2-17-29-24(19-13-15-20(26)16-14-19)27-28-25(29)32-18-23(31)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2,13-16,21-22H,1,3-12,17-18H2