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

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-furylmethyl)-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-furanylmethyl)-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(2-furfuryl)-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23N5OS/c1-16-8-10-25(11-9-16)20-23-24-21(26(20)14-19-3-2-12-27-19)28-15-18-6-4-17(13-22)5-7-18/h2-7,12,16H,8-11,14-15H2,1H3