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

Systemtic Name: N-cycloheptyl-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: N-cycloheptyl-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)COC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-2-14-25-19(15-27-18-12-8-5-9-13-18)23-24-21(25)28-16-20(26)22-17-10-6-3-4-7-11-17/h2,5,8-9,12-13,17H,1,3-4,6-7,10-11,14-16H2,(H,22,26)