2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylpropanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpropanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-propionamide Formula: C16H23N5O3S MolecularWeight: 365.45052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CO2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CO2

InChI

InChI=1S/C16H23N5O3S/c1-10(14(23)18-16(2,3)4)25-15-20-19-13(11-6-5-9-24-11)21(15)8-7-12(17)22/h5-6,9-10H,7-8H2,1-4H3,(H2,17,22)(H,18,23)