2-[3-[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[[2-[(6-methoxy-2-naphthalenyl)methyl-methylamino]-2-oxoethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[[2-keto-2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]ethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C22H25N4O4S- MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SCC(=O)N(C)CC2=CC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])SCC(=O)N(C)CC2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C22H26N4O4S/c1-4-5-19-23-24-22(26(19)13-21(28)29)31-14-20(27)25(2)12-15-6-7-17-11-18(30-3)9-8-16(17)10-15/h6-11H,4-5,12-14H2,1-3H3,(H,28,29)/p-1