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

Systemtic Name: N-(3-methoxypropyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxypropyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-27-14-8-13-22-20(26)16-28-21-24-23-19(15-17-9-4-2-5-10-17)25(21)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,22,26)