2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2S/c1-2-13-21-19(27)22-17(26)14-28-20-23-18(15-9-5-3-6-10-15)25(24-20)16-11-7-4-8-12-16/h2,4,7-8,11-12,15H,1,3,5-6,9-10,13-14H2,(H2,21,22,26,27)