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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-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-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-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-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H25N5OS/c1-3-14-26-19(17-10-6-4-7-11-17)23-24-20(26)28-15-18(27)25(2)21(16-22)12-8-5-9-13-21/h3-4,6-7,10-11H,1,5,8-9,12-15H2,2H3