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

Systemtic Name: 2-[4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetonitrile Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C12H11N5OS/c1-9-15-16-12(19)17(9)14-8-10-2-4-11(5-3-10)18-7-6-13/h2-5,8H,7H2,1H3,(H,16,19)/b14-8-