3-[[4-[(Z)-[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(Z)-[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-[(Z)-[3-[(2,6-dimethylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methyl-anilino]propanenitrile CAS Name: 3-[4-[(Z)-[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile IUPAC Name: 3-[4-[(Z)-[3-[(2,6-dimethylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methylanilino]propanenitrile Traditional Name: 3-[4-[(Z)-[3-[(2,6-dimethylphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-N-methyl-anilino]propionitrile Formula: C22H24N6OS MolecularWeight: 420.53056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)N(C)CCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2/N=C\C3=CC=C(C=C3)N(C)CCC#N

InChI

InChI=1S/C22H24N6OS/c1-16-6-4-7-17(2)21(16)29-15-20-25-26-22(30)28(20)24-14-18-8-10-19(11-9-18)27(3)13-5-12-23/h4,6-11,14H,5,13,15H2,1-3H3,(H,26,30)/b24-14-