2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(5-methyl-2-phenyl-triazole-4-carbonyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-methyl-2-phenyltriazole-4-carbonyl)-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-methyl-2-phenyl-triazole-4-carbonyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=S)NCCN3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=S)NCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N7O2S/c1-16-18(23-27(22-16)17-6-3-2-4-7-17)19(28)25-9-5-10-26(25)20(30)21-8-11-24-12-14-29-15-13-24/h2-4,6-7H,5,8-15H2,1H3,(H,21,30)