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

Systemtic Name: (2S)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C21H27N5O2S/c1-3-14-26-18(16-12-8-5-9-13-16)24-25-21(26)29-17(15-10-6-4-7-11-15)19(27)23-20(28)22-2/h3-4,6-7,10-11,16-17H,1,5,8-9,12-14H2,2H3,(H2,22,23,27,28)/t17-/m0/s1