(E)-N-(5-bromanyl-1,3-thiazol-2-yl)-2-[3-chloranyl-4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]-3-cycloheptyl-prop-2-enamide

Systemtic Name: (E)-N-(5-bromanyl-1,3-thiazol-2-yl)-2-[3-chloranyl-4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]-3-cycloheptyl-prop-2-enamide Openeye Name: (E)-N-(5-bromothiazol-2-yl)-2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cycloheptyl-prop-2-enamide CAS Name: (E)-N-(5-bromo-2-thiazolyl)-2-[3-chloro-4-(5-methyl-1-tetrazolyl)phenyl]-3-cycloheptyl-2-propenamide IUPAC Name: (E)-N-(5-bromo-1,3-thiazol-2-yl)-2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cycloheptylprop-2-enamide Traditional Name: (E)-N-(5-bromothiazol-2-yl)-2-[3-chloro-4-(5-methyltetrazol-1-yl)phenyl]-3-cycloheptyl-acrylamide Formula: C21H22BrClN6OS MolecularWeight: 521.86098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1C2=C(C=C(C=C2)C(=CC3CCCCCC3)C(=O)NC4=NC=C(S4)Br)Cl

Isomeric SMILES

CC1=NN=NN1C2=C(C=C(C=C2)/C(=C\C3CCCCCC3)/C(=O)NC4=NC=C(S4)Br)Cl

InChI

InChI=1S/C21H22BrClN6OS/c1-13-26-27-28-29(13)18-9-8-15(11-17(18)23)16(10-14-6-4-2-3-5-7-14)20(30)25-21-24-12-19(22)31-21/h8-12,14H,2-7H2,1H3,(H,24,25,30)/b16-10+