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

Systemtic Name: ethyl 2-[[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-3-27-15(25)12-19-18(28)23-11-7-10-22(23)17(26)16-13(2)20-24(21-16)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,19,28)