2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-15-6-8-16(9-7-15)19(26)14-28-21-24-23-20(17-4-2-10-22-12-17)25(21)13-18-5-3-11-27-18/h2-12H,13-14H2,1H3