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

Systemtic Name: 3-[3-phenyl-4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-phenyl-4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-phenyl-4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-phenyl-4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-phenyl-4-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]pyrazol-1-yl]propionitrile Formula: C21H17N7 MolecularWeight: 367.40658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NN3C=NN=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\N3C=NN=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C21H17N7/c22-12-7-13-27-15-19(20(26-27)17-8-3-1-4-9-17)14-24-28-16-23-25-21(28)18-10-5-2-6-11-18/h1-6,8-11,14-16H,7,13H2/b24-14-