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

Systemtic Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenoxy]acetonitrile Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC#N)OC

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)OCC#N)OC

InChI

InChI=1S/C16H19N5O2S/c1-16(2,3)14-19-20-15(24)21(14)18-10-11-5-6-12(23-8-7-17)13(9-11)22-4/h5-6,9-10H,8H2,1-4H3,(H,20,24)/b18-10-