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

Systemtic Name: N-(furan-2-ylmethyl)-4-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-furylmethyl)-4-[[4-(m-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: N-(2-furanylmethyl)-4-[[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-furfuryl)-4-[[[4-(m-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4)C5=CC=NC=C5

InChI

InChI=1S/C27H23N5O2S/c1-19-4-2-5-23(16-19)32-25(21-11-13-28-14-12-21)30-31-27(32)35-18-20-7-9-22(10-8-20)26(33)29-17-24-6-3-15-34-24/h2-16H,17-18H2,1H3,(H,29,33)