2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethanamine

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethanamine Openeye Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethanamine CAS Name: 2-[[4-(1-imidazolyl)phenyl]methylthio]ethanamine IUPAC Name: 2-[(4-imidazol-1-ylphenyl)methylsulfanyl]ethanamine Traditional Name: 2-[(4-imidazol-1-ylbenzyl)thio]ethylamine Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCN)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CSCCN)N2C=CN=C2

InChI

InChI=1S/C12H15N3S/c13-5-8-16-9-11-1-3-12(4-2-11)15-7-6-14-10-15/h1-4,6-7,10H,5,8-9,13H2