N-[5-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2-oxidanyl-phenyl]ethanamide

Systemtic Name: N-[5-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2-oxidanyl-phenyl]ethanamide Openeye Name: N-[5-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxy-phenyl]acetamide CAS Name: N-[5-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-hydroxyphenyl]acetamide IUPAC Name: N-[5-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide Traditional Name: N-[5-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-hydroxy-phenyl]acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)O

InChI

InChI=1S/C20H19N5O3S/c1-12(26)22-16-10-14(2-5-17(16)27)18(28)11-29-20-24-23-19(25(20)15-3-4-15)13-6-8-21-9-7-13/h2,5-10,15,27H,3-4,11H2,1H3,(H,22,26)