N-(4-ethanoylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(4-acetylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C20H21N5O2S/c1-4-17(19(27)22-16-7-5-14(6-8-16)13(2)26)28-20-24-23-18(25(20)3)15-9-11-21-12-10-15/h5-12,17H,4H2,1-3H3,(H,22,27)