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

Systemtic Name: 3-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(5-bromo-2-methoxyphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(5-bromo-2-methoxy-benzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]propionamide Formula: C17H17BrN4O3S MolecularWeight: 437.31088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NN=C(N2CCC(=O)N)C3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NN=C(N2CCC(=O)N)C3=CC=CO3

InChI

InChI=1S/C17H17BrN4O3S/c1-24-13-5-4-12(18)9-11(13)10-26-17-21-20-16(14-3-2-8-25-14)22(17)7-6-15(19)23/h2-5,8-9H,6-7,10H2,1H3,(H2,19,23)