4-[2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethoxy]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)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5O2S/c1-24-15-8-4-14(5-9-15)17-21-22-18(23(17)20)26-11-10-25-16-6-2-13(12-19)3-7-16/h2-9H,10-11,20H2,1H3