N'-azanyl-N-[2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethylsulfanyl]methanimidamide

Systemtic Name: N'-azanyl-N-[2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethylsulfanyl]methanimidamide Openeye Name: N'-amino-N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethylsulfanyl]formamidine CAS Name: N'-amino-N-[2-[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]ethylthio]methanimidamide IUPAC Name: N'-amino-N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethylsulfanyl]methanimidamide Traditional Name: N'-amino-N-[2-[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]ethylthio]formamidine Formula: C14H21N5OS MolecularWeight: 307.41444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSNC=NN)C2=CC=CC=CC2=O

Isomeric SMILES

C1CN(CCN1CCSN/C=N/N)C2=CC=CC=CC2=O

InChI

InChI=1S/C14H21N5OS/c15-16-12-17-21-11-10-18-6-8-19(9-7-18)13-4-2-1-3-5-14(13)20/h1-5,12H,6-11,15H2,(H,16,17)