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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C23H26N4OS/c1-17(22(28)24-19-13-7-3-8-14-19)29-23-26-25-21(18-11-5-2-6-12-18)27(23)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3,(H,24,28)