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

Systemtic Name: methyl 2-[[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=S)NCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=S)NCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H20N6O3S/c1-12-15(20-23(19-12)13-7-4-3-5-8-13)16(25)21-9-6-10-22(21)17(27)18-11-14(24)26-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,18,27)