1-butyl-3-[[3-(cyanomethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea

Systemtic Name: 1-butyl-3-[[3-(cyanomethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea Openeye Name: 1-butyl-3-[[3-(cyanomethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea CAS Name: 1-butyl-3-[[3-(cyanomethylthio)-1,2,4-thiadiazol-5-yl]amino]urea IUPAC Name: 1-butyl-3-[[3-(cyanomethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea Traditional Name: 1-butyl-3-[[3-(cyanomethylthio)-1,2,4-thiadiazol-5-yl]amino]urea Formula: C9H14N6OS2 MolecularWeight: 286.37706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NNC1=NC(=NS1)SCC#N

Isomeric SMILES

CCCCNC(=O)NNC1=NC(=NS1)SCC#N

InChI

InChI=1S/C9H14N6OS2/c1-2-3-5-11-7(16)13-14-8-12-9(15-18-8)17-6-4-10/h2-3,5-6H2,1H3,(H2,11,13,16)(H,12,14,15)