ethyl 3-[[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H24N6O3S MolecularWeight: 416.49726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C19H24N6O3S/c1-3-28-16(26)10-11-20-19(29)24-13-7-12-23(24)18(27)17-14(2)21-25(22-17)15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,20,29)