1-(azepan-1-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C12H20N4OS MolecularWeight: 268.3784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCC(=O)N2CCCCCC2

Isomeric SMILES

CN1C=NN=C1SCCC(=O)N2CCCCCC2

InChI

InChI=1S/C12H20N4OS/c1-15-10-13-14-12(15)18-9-6-11(17)16-7-4-2-3-5-8-16/h10H,2-9H2,1H3