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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-3-phenyl-propyl)propanamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylbutan-2-yl)propanamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide Traditional Name: 2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(1-methyl-3-phenyl-propyl)propionamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-18(12-13-20-8-4-3-5-9-20)27-24(31)19(2)33-25-29-28-23(21-10-6-14-26-16-21)30(25)17-22-11-7-15-32-22/h3-11,14-16,18-19H,12-13,17H2,1-2H3,(H,27,31)