N-(furan-2-ylmethylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfurylcarbamoyl)acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O3S/c1-2-9-24-16(13-5-7-19-8-6-13)22-23-18(24)28-12-15(25)21-17(26)20-11-14-4-3-10-27-14/h2-8,10H,1,9,11-12H2,(H2,20,21,25,26)