N-[4-methyl-3-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-3-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-methyl-3-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]furan-2-carboxamide CAS Name: N-[4-methyl-3-[[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methyl-3-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]furan-2-carboxamide Traditional Name: N-[4-methyl-3-[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]-2-furamide Formula: C27H22N6O3S MolecularWeight: 510.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H22N6O3S/c1-18-9-10-20(29-26(35)23-8-5-15-36-23)16-22(18)30-24(34)17-37-27-32-31-25(19-11-13-28-14-12-19)33(27)21-6-3-2-4-7-21/h2-16H,17H2,1H3,(H,29,35)(H,30,34)