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

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

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-3-14-25-20(17-12-8-9-13-18(17)27-2)23-24-21(25)28-15-19(26)22-16-10-6-4-5-7-11-16/h3,8-9,12-13,16H,1,4-7,10-11,14-15H2,2H3,(H,22,26)