2-[1-(phenylmethyl)imidazol-2-yl]ethanethioamide

Systemtic Name: 2-[1-(phenylmethyl)imidazol-2-yl]ethanethioamide Openeye Name: 2-(1-benzylimidazol-2-yl)thioacetamide CAS Name: 2-[1-(phenylmethyl)-2-imidazolyl]ethanethioamide IUPAC Name: 2-(1-benzylimidazol-2-yl)ethanethioamide Traditional Name: 2-(1-benzylimidazol-2-yl)thioacetamide Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2CC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2CC(=S)N

InChI

InChI=1S/C12H13N3S/c13-11(16)8-12-14-6-7-15(12)9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,16)