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

Systemtic Name: 2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(5-methyl-2-phenyl-triazole-4-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-methyl-2-phenyltriazole-4-carbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-methyl-2-phenyl-triazole-4-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N7OS/c1-15-18(24-27(23-15)17-8-3-2-4-9-17)19(28)25-11-6-12-26(25)20(29)22-14-16-7-5-10-21-13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,22,29)