3-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 3-[[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxybenzaldehyde Traditional Name: 3-[[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-benzaldehyde Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-27-19-8-7-16(14-26)12-17(19)15-29-21-23-22-20(24-9-3-2-4-10-24)25(21)13-18-6-5-11-28-18/h5-8,11-12,14H,2-4,9-10,13,15H2,1H3