3-[3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(N2CCC(=O)N)C3CC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(N2CCC(=O)N)C3CC3)Br)OC

InChI

InChI=1S/C17H21BrN4O3S/c1-24-13-7-11(12(18)8-14(13)25-2)9-26-17-21-20-16(10-3-4-10)22(17)6-5-15(19)23/h7-8,10H,3-6,9H2,1-2H3,(H2,19,23)