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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3C#N)OC

InChI

InChI=1S/C18H17N5O2S/c1-24-14-7-8-15(16(9-14)25-2)17-21-22-18(23(17)20)26-11-13-6-4-3-5-12(13)10-19/h3-9H,11,20H2,1-2H3