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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C22H30ClN5OS MolecularWeight: 448.0245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H30ClN5OS/c23-17-13-11-16(12-14-17)21-25-26-22(28(21)24)30-15-20(29)27(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h11-14,18-19H,1-10,15,24H2