N-(furan-2-ylmethyl)-2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-furylmethyl)benzamide CAS Name: N-(2-furanylmethyl)-2-[[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-(2-furfuryl)benzamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C24H22N6O3S/c1-2-13-30-22(17-9-11-25-12-10-17)28-29-24(30)34-16-21(31)27-20-8-4-3-7-19(20)23(32)26-15-18-6-5-14-33-18/h2-12,14H,1,13,15-16H2,(H,26,32)(H,27,31)