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

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16(31-23-27-26-21(28(23)2)17-12-14-24-15-13-17)22(29)25-18-8-10-20(11-9-18)30-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,25,29)