(2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(methylcarbamoyl)propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2S/c1-13(17(25)22-18(26)20-2)27-19-21-16(14-9-5-3-6-10-14)24(23-19)15-11-7-4-8-12-15/h4,7-8,11-14H,3,5-6,9-10H2,1-2H3,(H2,20,22,25,26)/t13-/m1/s1