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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C19H25N7OS2 MolecularWeight: 431.5781

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C(C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C(C)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C19H25N7OS2/c1-4-14(15(27)21-18-24-22-16(29-18)12(2)3)26-17(20)23-25-19(26)28-11-10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,20,23)(H,21,24,27)