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

Systemtic Name: N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-ethyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-ethyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexen-1-yl)-N-ethyl-acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O2S/c1-4-15-26-21(17-11-13-19(28-3)14-12-17)23-24-22(26)29-16-20(27)25(5-2)18-9-7-6-8-10-18/h4,9,11-14H,1,5-8,10,15-16H2,2-3H3