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

Systemtic Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5OS/c1-15(2,3)13-18-19-14(22)20(13)17-10-11-4-6-12(7-5-11)21-9-8-16/h4-7,10H,9H2,1-3H3,(H,19,22)/b17-10-