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

Systemtic Name: N-(2-methoxyethyl)-2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidine-1-carbothioamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2S/c1-13-15(20-23(19-13)14-7-4-3-5-8-14)16(24)21-10-6-11-22(21)17(26)18-9-12-25-2/h3-5,7-8H,6,9-12H2,1-2H3,(H,18,26)