2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC#N)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)OCC#N)OC

InChI

InChI=1S/C14H15N5O2S/c1-3-13-17-18-14(22)19(13)16-9-10-4-5-11(21-7-6-15)12(8-10)20-2/h4-5,8-9H,3,7H2,1-2H3,(H,18,22)/b16-9-