3-[3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3S/c1-25-14-5-4-11(8-12(14)18)13(23)9-26-17-21-20-16(10-2-3-10)22(17)7-6-15(19)24/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,19,24)