4-azanyl-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[2-(1-azocanyl)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)N2CCCCCCC2

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)N2CCCCCCC2

InChI

InChI=1S/C13H21N5O2S/c1-10-12(20)18(14)13(16-15-10)21-9-11(19)17-7-5-3-2-4-6-8-17/h2-9,14H2,1H3