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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)propanamide CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-furanylmethyl)propanamide IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-16(21(27)23-15-19-13-8-14-28-19)29-22-25-24-20(17-9-4-2-5-10-17)26(22)18-11-6-3-7-12-18/h3,6-8,11-14,16-17H,2,4-5,9-10,15H2,1H3,(H,23,27)