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

Systemtic Name: 4-(4-bromophenyl)-3-prop-2-enyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2-imine bromide Openeye Name: 3-allyl-4-(4-bromophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiazol-2-imine bromide CAS Name: 4-(4-bromophenyl)-3-prop-2-enyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-thiazolimine bromide IUPAC Name: 4-(4-bromophenyl)-3-prop-2-enyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2-imine bromide Traditional Name: [3-allyl-4-(4-bromophenyl)-4-thiazolin-2-ylidene]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]amine bromide Formula: C25H24Br2N5S- MolecularWeight: 586.36456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CSC1=NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4)C5=CC=C(C=C5)Br.[Br-]

Isomeric SMILES

C=CCN1C(=CSC1=NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4)C5=CC=C(C=C5)Br.[Br-]

InChI

InChI=1S/C25H24BrN5S.BrH/c1-2-15-30-22(18-7-11-20(26)12-8-18)17-32-25(30)27-21-13-9-19(10-14-21)24-29-28-23-6-4-3-5-16-31(23)24;/h2,7-14,17H,1,3-6,15-16H2;1H/p-1