2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C22H29N7OS2 MolecularWeight: 471.64196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2CCCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2CCCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H29N7OS2/c1-2-17(18(30)24-21-27-25-19(32-21)16-11-7-4-8-12-16)29-20(23)26-28-22(29)31-14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3,(H2,23,26)(H,24,27,30)