5-azanyl-2-[(phenylmethylsulfanyl)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-azanyl-2-[(phenylmethylsulfanyl)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile CAS Name: 5-amino-2-[(phenylmethylthio)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-amino-2-(benzylsulfanylmethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-amino-2-[(benzylthio)methyl]oxazole-4-carbonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NC(=C(O2)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NC(=C(O2)N)C#N

InChI

InChI=1S/C12H11N3OS/c13-6-10-12(14)16-11(15-10)8-17-7-9-4-2-1-3-5-9/h1-5H,7-8,14H2