3-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C17H17N7S MolecularWeight: 351.42878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C17H17N7S/c1-2-15-20-21-17(25)24(15)19-11-14-12-23(10-6-9-18)22-16(14)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,10H2,1H3,(H,21,25)/b19-11-