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

Systemtic Name: 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(azepan-1-yl)ethanone Formula: C15H20N6OS MolecularWeight: 332.4239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6OS/c16-21-14(12-5-7-17-8-6-12)18-19-15(21)23-11-13(22)20-9-3-1-2-4-10-20/h5-8H,1-4,9-11,16H2