4-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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-p-phenetyl-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: C27H29BrN5OS- MolecularWeight: 551.52106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5)N2CC=C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5)N2CC=C.[Br-]

InChI

InChI=1S/C27H29N5OS.BrH/c1-3-17-31-24(20-11-15-23(16-12-20)33-4-2)19-34-27(31)28-22-13-9-21(10-14-22)26-30-29-25-8-6-5-7-18-32(25)26;/h3,9-16,19H,1,4-8,17-18H2,2H3;1H/p-1