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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c1-15-5-2-7-17(11-15)23-19(27)14-29-21-25-24-20(16-6-3-9-22-12-16)26(21)13-18-8-4-10-28-18/h2-12H,13-14H2,1H3,(H,23,27)