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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azocan-1-yl)ethanone CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-azocanyl)ethanone IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(azocan-1-yl)ethanone Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C16H22N6OS/c17-22-15(13-7-6-8-18-11-13)19-20-16(22)24-12-14(23)21-9-4-2-1-3-5-10-21/h6-8,11H,1-5,9-10,12,17H2