4-(1,3-benzodioxol-5-yl)-3-ethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2-imine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2-imine Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiazol-2-imine CAS Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-thiazolimine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-ethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2-imine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-ethyl-4-thiazolin-2-ylidene]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]amine Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CSC1=NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN1C(=CSC1=NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H25N5O2S/c1-2-29-20(18-9-12-21-22(14-18)32-16-31-21)15-33-25(29)26-19-10-7-17(8-11-19)24-28-27-23-6-4-3-5-13-30(23)24/h7-12,14-15H,2-6,13,16H2,1H3