3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-methyl-1-phenyl-N-(3-pyridylmethylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-methyl-1-phenyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-methyl-1-phenyl-N-(3-pyridylmethylthiocarbamoyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5OS2/c1-13-16-10-17(28-19(16)25(24-13)15-7-3-2-4-8-15)18(26)23-20(27)22-12-14-6-5-9-21-11-14/h2-11H,12H2,1H3,(H2,22,23,26,27)