methyl 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H25N3O2S/c1-20-14(18-19-16(20)23-10-15(21)22-2)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,3-10H2,1-2H3