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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxypropyl)acetamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

COCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C20H28N4O2S/c1-26-14-8-13-21-18(25)15-27-20-23-22-19(16-9-4-2-5-10-16)24(20)17-11-6-3-7-12-17/h3,6-7,11-12,16H,2,4-5,8-10,13-15H2,1H3,(H,21,25)