2-[[5-(4-cyclopentyloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(4-cyclopentyloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-allyl-5-[4-(cyclopentoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[[5-(4-cyclopentyloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-cyclopentyloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[4-(cyclopentoxy)phenyl]-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC4CCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C25H28N4O2S/c1-2-16-29-24(20-12-14-22(15-13-20)31-21-10-6-7-11-21)27-28-25(29)32-18-23(30)26-17-19-8-4-3-5-9-19/h2-5,8-9,12-15,21H,1,6-7,10-11,16-18H2,(H,26,30)