2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C16H14N4OS2 MolecularWeight: 342.43856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3=CC=NC=C3

InChI

InChI=1S/C16H14N4OS2/c1-2-9-20-15(12-5-7-17-8-6-12)18-19-16(20)23-11-13(21)14-4-3-10-22-14/h2-8,10H,1,9,11H2