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

Systemtic Name: N-cycloheptyl-2-[[5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: N-cycloheptyl-2-[[5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-cycloheptyl-acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C22H30N4O2S/c1-3-15-26-21(17-11-13-19(14-12-17)28-4-2)24-25-22(26)29-16-20(27)23-18-9-7-5-6-8-10-18/h3,11-14,18H,1,4-10,15-16H2,2H3,(H,23,27)