2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S/c1-13(25)15-8-5-9-16(11-15)21-18(26)12-27-19-23-22-17(24(19)20)10-14-6-3-2-4-7-14/h2-9,11H,10,12,20H2,1H3,(H,21,26)