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phenyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate

phenyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate

Systemtic Name:phenyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate
Openeye Name:1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-phenyl-isourea
CAS Name:N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidic acid phenyl ester
IUPAC Name:phenyl N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidate
Traditional Name:1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-phenyl-isourea
Formula: C15H17N5OS
MolecularWeight: 315.39338
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(NC#N)OC2=CC=CC=C2


Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(NC#N)OC2=CC=CC=C2


InChI

InChI=1S/C15H17N5OS/c1-12-14(20-11-19-12)9-22-8-7-17-15(18-10-16)21-13-5-3-2-4-6-13/h2-6,11H,7-9H2,1H3,(H,17,18)(H,19,20)


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