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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-(2-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-(2-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-30-20-12-6-5-11-19(20)28-22(18-10-7-13-24-15-18)26-27-23(28)31-16-21(29)25-14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,25,29)