2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NN=C(N2CC3=CC=CO3)N4CCCCC4

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NN=C(N2CC3=CC=CO3)N4CCCCC4

InChI

InChI=1S/C19H26N4O2S/c24-16-9-3-1-4-10-17(16)26-19-21-20-18(22-11-5-2-6-12-22)23(19)14-15-8-7-13-25-15/h7-8,13,17H,1-6,9-12,14H2