4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)butanamide

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-benzyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-25-20(18-12-7-4-8-13-18)23-24-21(25)27-15-9-14-19(26)22-16-17-10-5-3-6-11-17/h3-8,10-13H,2,9,14-16H2,1H3,(H,22,26)