1-(3-phenyl-1-thiophen-2-yl-pyrazol-4-yl)-N-[(E)-(3-phenyl-1-thiophen-2-yl-pyrazol-4-yl)methylideneamino]methanimine hydrate

Systemtic Name: 1-(3-phenyl-1-thiophen-2-yl-pyrazol-4-yl)-N-[(E)-(3-phenyl-1-thiophen-2-yl-pyrazol-4-yl)methylideneamino]methanimine hydrate Openeye Name: 1-[3-phenyl-1-(2-thienyl)pyrazol-4-yl]-N-[(E)-[3-phenyl-1-(2-thienyl)pyrazol-4-yl]methyleneamino]methanimine hydrate CAS Name: 1-(3-phenyl-1-thiophen-2-yl-4-pyrazolyl)-N-[(E)-(3-phenyl-1-thiophen-2-yl-4-pyrazolyl)methylideneamino]methanimine hydrate IUPAC Name: 1-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)-N-[(E)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanimine hydrate Traditional Name: (E)-[3-phenyl-1-(2-thienyl)pyrazol-4-yl]methylene-[(E)-[3-phenyl-1-(2-thienyl)pyrazol-4-yl]methyleneamino]amine hydrate Formula: C28H22N6OS2 MolecularWeight: 522.64388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CS5)C6=CC=CS6.O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/N=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CS5)C6=CC=CS6.O

InChI

InChI=1S/C28H20N6S2.H2O/c1-3-9-21(10-4-1)27-23(19-33(31-27)25-13-7-15-35-25)17-29-30-18-24-20-34(26-14-8-16-36-26)32-28(24)22-11-5-2-6-12-22;/h1-20H;1H2/b29-17+,30-18+;