1-(azepan-1-yl)-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCC4

InChI

InChI=1S/C19H27N5O2S/c25-17(22-9-3-1-2-4-10-22)15-27-19-21-20-18(23-11-5-6-12-23)24(19)14-16-8-7-13-26-16/h7-8,13H,1-6,9-12,14-15H2