N-(1-cyanocyclohexyl)-2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[5-(2,4-dichlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(2,4-dichlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[5-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[5-(2,4-dichlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H21Cl2N5O2S MolecularWeight: 490.40544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N5O2S/c23-15-6-7-17(18(24)11-15)20-27-28-21(29(20)12-16-5-4-10-31-16)32-13-19(30)26-22(14-25)8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12-13H2,(H,26,30)