N-tert-butyl-2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N4O3S/c1-14(19(26)22-21(2,3)4)29-20-24-23-18(15-8-6-9-16(12-15)27-5)25(20)13-17-10-7-11-28-17/h6-12,14H,13H2,1-5H3,(H,22,26)