N-tert-butyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-25(2,3)30(16-19-9-5-4-6-10-19)22(31)18-33-24-28-27-23(20-11-7-13-26-15-20)29(24)17-21-12-8-14-32-21/h4-15H,16-18H2,1-3H3