2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butyramide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N5OS/c1-3-15-10-12-17(13-11-15)23-19(27)18(4-2)26-20(22)24-25-21(26)28-14-16-8-6-5-7-9-16/h5-13,18H,3-4,14H2,1-2H3,(H2,22,24)(H,23,27)