N-aminocarbonyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H21Cl2N5O2S MolecularWeight: 442.36264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CCCCC2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CCCCC2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O2S/c1-10(16(26)22-17(21)27)28-18-24-23-15(13-8-7-11(19)9-14(13)20)25(18)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H3,21,22,26,27)