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

Systemtic Name: 1-[4-[5-sulfanylidene-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-[5-(2-thienyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[5-sulfanylidene-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[5-sulfanylidene-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-[5-(2-thienyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C17H13N5OS2 MolecularWeight: 367.44802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H13N5OS2/c1-10(23)11-4-6-12(7-5-11)22-16(20-21-17(22)24)14-9-13(18-19-14)15-3-2-8-25-15/h2-9H,1H3,(H,18,19)(H,21,24)