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

Systemtic Name: 3-[[4-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-amino-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-amino-5-[(3,4-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=C(C=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=CC(=C3)C#N)C

Isomeric SMILES

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

InChI

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