1-cyano-2-methyl-3-[2-[3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propylsulfanyl]ethyl]guanidine

Systemtic Name: 1-cyano-2-methyl-3-[2-[3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propylsulfanyl]ethyl]guanidine Openeye Name: 1-cyano-2-methyl-3-[2-[3-(6-oxo-3-phenyl-pyridazin-1-yl)propylsulfanyl]ethyl]guanidine CAS Name: 1-cyano-2-methyl-3-[2-[3-(6-oxo-3-phenyl-1-pyridazinyl)propylthio]ethyl]guanidine IUPAC Name: 1-cyano-2-methyl-3-[2-[3-(6-oxo-3-phenylpyridazin-1-yl)propylsulfanyl]ethyl]guanidine Traditional Name: 1-cyano-3-[2-[3-(6-keto-3-phenyl-pyridazin-1-yl)propylthio]ethyl]-2-methyl-guanidine Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCCCN1C(=O)C=CC(=N1)C2=CC=CC=C2)NC#N

Isomeric SMILES

CN=C(NCCSCCCN1C(=O)C=CC(=N1)C2=CC=CC=C2)NC#N

InChI

InChI=1S/C18H22N6OS/c1-20-18(22-14-19)21-10-13-26-12-5-11-24-17(25)9-8-16(23-24)15-6-3-2-4-7-15/h2-4,6-9H,5,10-13H2,1H3,(H2,20,21,22)