2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=CN3CCOC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=CN3CCOC

InChI

InChI=1S/C21H24N4O3S/c1-16(29-21-24-22-15-25(21)12-13-27-2)20(26)23-18-8-10-19(11-9-18)28-14-17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,26)