2-(1H-imidazol-5-yl)ethyl N'-phenylcarbamimidothioate

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl N'-phenylcarbamimidothioate Openeye Name: 2-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid 2-(1H-imidazol-5-yl)ethyl ester IUPAC Name: 2-(1H-imidazol-5-yl)ethyl N'-phenylcarbamimidothioate Traditional Name: 2-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-isothiourea Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCCC2=CN=CN2

InChI

InChI=1S/C12H14N4S/c13-12(16-10-4-2-1-3-5-10)17-7-6-11-8-14-9-15-11/h1-5,8-9H,6-7H2,(H2,13,16)(H,14,15)