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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N)OC

InChI

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