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

Systemtic Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5OS/c1-2-12-16-17-13(20)18(12)15-9-10-3-5-11(6-4-10)19-8-7-14/h3-6,9H,2,8H2,1H3,(H,17,20)/b15-9-