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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(CC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(CC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-3-15-10-12-17(13-11-15)19-23-21(25-24-19)27-18(4-2)20(26)22-14-16-8-6-5-7-9-16/h5-13,18H,3-4,14H2,1-2H3,(H,22,26)(H,23,24,25)