2-[azepan-1-yl(methyl)amino]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethanamide

Systemtic Name: 2-[azepan-1-yl(methyl)amino]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethanamide Openeye Name: 2-[azepan-1-yl(methyl)amino]-N-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)acetamide CAS Name: 2-[1-azepanyl(methyl)amino]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide IUPAC Name: 2-[azepan-1-yl(methyl)amino]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide Traditional Name: 2-[azepan-1-yl(methyl)amino]-N-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)acetamide Formula: C11H20N6OS MolecularWeight: 284.3811

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC(=S)NN1)N2CCCCCC2

Isomeric SMILES

CN(CC(=O)NC1=NC(=S)NN1)N2CCCCCC2

InChI

InChI=1S/C11H20N6OS/c1-16(17-6-4-2-3-5-7-17)8-9(18)12-10-13-11(19)15-14-10/h2-8H2,1H3,(H3,12,13,14,15,18,19)