2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)OCCCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-12(2)22-10-6-9-17-14(21)11-23-16-18-15(19-20-16)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,17,21)(H,18,19,20)