(E)-3-[3-(cyclobutylamino)-6,6-di(thiophen-3-yl)-7H-indazol-1-yl]prop-2-enal

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6,6-di(thiophen-3-yl)-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6,6-bis(3-thienyl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6,6-bis(3-thiophenyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6,6-di(thiophen-3-yl)-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6,6-bis(3-thienyl)-7H-indazol-1-yl]acrolein Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=CSC=C4)C5=CSC=C5)C=CC=O

Isomeric SMILES

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=CSC=C4)C5=CSC=C5)/C=C/C=O

InChI

InChI=1S/C22H21N3OS2/c26-10-2-9-25-20-13-22(16-6-11-27-14-16,17-7-12-28-15-17)8-5-19(20)21(24-25)23-18-3-1-4-18/h2,5-12,14-15,18H,1,3-4,13H2,(H,23,24)/b9-2+