methyl N-cyano-N'-[4-(5-methyl-1H-imidazol-4-yl)butyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[4-(5-methyl-1H-imidazol-4-yl)butyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]isothiourea CAS Name: N-cyano-N'-[4-(5-methyl-1H-imidazol-4-yl)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[4-(5-methyl-1H-imidazol-4-yl)butyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]isothiourea Formula: C11H17N5S MolecularWeight: 251.35118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCCCN=C(NC#N)SC

Isomeric SMILES

CC1=C(N=CN1)CCCCN=C(NC#N)SC

InChI

InChI=1S/C11H17N5S/c1-9-10(16-8-15-9)5-3-4-6-13-11(17-2)14-7-12/h8H,3-6H2,1-2H3,(H,13,14)(H,15,16)