3-[4-[(Z)-(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(Z)-(6-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-(6-methyl-5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-(5-keto-6-methyl-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C17H15N7OS MolecularWeight: 365.4123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=NNC(=S)N(C1=O)/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C17H15N7OS/c1-12-16(25)24(17(26)21-20-12)19-10-14-11-23(9-5-8-18)22-15(14)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,9H2,1H3,(H,21,26)/b19-10-