3-[3-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C17H19BrN4O2S MolecularWeight: 423.32736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C17H19BrN4O2S/c1-10(15(24)11-4-6-13(18)7-5-11)25-17-21-20-16(12-2-3-12)22(17)9-8-14(19)23/h4-7,10,12H,2-3,8-9H2,1H3,(H2,19,23)