N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[3-(1-pyrazolylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3-(pyrazol-1-ylmethyl)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)CN4C=CC=N4

InChI

InChI=1S/C18H16N6OS2/c25-16(12-24-17(21-22-18(24)26)15-6-2-9-27-15)20-14-5-1-4-13(10-14)11-23-8-3-7-19-23/h1-10H,11-12H2,(H,20,25)(H,22,26)