4-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-(2-furylmethyl)-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-(2-furanylmethyl)-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-(2-furfuryl)-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-14-6-8-25(9-7-14)20-23-24-21(26(20)12-17-3-2-10-31-17)32-13-16-5-4-15(19(22)28)11-18(16)27(29)30/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,22,28)