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

Systemtic Name: 2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(azepan-1-yl)ethanone Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CO3

InChI

InChI=1S/C14H19N5O2S/c15-19-13(11-6-5-9-21-11)16-17-14(19)22-10-12(20)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10,15H2