2-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H15N5OS MolecularWeight: 289.3561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2N)SCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2N)SCC#N)C

InChI

InChI=1S/C13H15N5OS/c1-9-3-4-11(10(2)7-9)19-8-12-16-17-13(18(12)15)20-6-5-14/h3-4,7H,6,8,15H2,1-2H3