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

Systemtic Name: N-[4-[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-methoxy-phenyl]furan-2-carboxamide Openeye Name: N-[4-[[2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-methoxy-phenyl]furan-2-carboxamide CAS Name: N-[4-[[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-methoxyphenyl]-2-furancarboxamide IUPAC Name: N-[4-[[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-methoxy-phenyl]-2-furamide Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C27H28N6O4S/c1-36-23-16-19(9-10-21(23)30-26(35)22-8-5-15-37-22)29-24(34)17-38-27-32-31-25(18-11-13-28-14-12-18)33(27)20-6-3-2-4-7-20/h5,8-16,20H,2-4,6-7,17H2,1H3,(H,29,34)(H,30,35)