tert-butyl 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C15H20N4O3S2 MolecularWeight: 368.4743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1CCC(=O)N)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C15H20N4O3S2/c1-15(2,3)22-12(21)9-24-14-18-17-13(10-5-4-8-23-10)19(14)7-6-11(16)20/h4-5,8H,6-7,9H2,1-3H3,(H2,16,20)