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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCCC2=CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCCC2=CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N5O2S/c1-2-15-27-20(18-11-7-4-8-12-18)25-26-22(27)30-16-19(28)24-21(29)23-14-13-17-9-5-3-6-10-17/h2,4,7-9,11-12H,1,3,5-6,10,13-16H2,(H2,23,24,28,29)