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

Systemtic Name: 4-[[4-azanyl-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H19N5OS/c1-13-7-14(2)9-17(8-13)25-11-18-22-23-19(24(18)21)26-12-16-5-3-15(10-20)4-6-16/h3-9H,11-12,21H2,1-2H3