methyl N-cyano-N'-[3-[(5-methyl-1H-imidazol-4-yl)sulfanyl]propyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[3-[(5-methyl-1H-imidazol-4-yl)sulfanyl]propyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[3-[(5-methyl-1H-imidazol-4-yl)sulfanyl]propyl]isothiourea CAS Name: N-cyano-N'-[3-[(5-methyl-1H-imidazol-4-yl)thio]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[3-[(5-methyl-1H-imidazol-4-yl)sulfanyl]propyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[3-[(5-methyl-1H-imidazol-4-yl)thio]propyl]isothiourea Formula: C10H15N5S2 MolecularWeight: 269.3896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5S2/c1-8-9(15-7-14-8)17-5-3-4-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)