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

Systemtic Name: 3-[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(3-bromoanilino)-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C16H18BrN5O2S MolecularWeight: 424.31542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)CCC(=O)N

InChI

InChI=1S/C16H18BrN5O2S/c17-10-2-1-3-11(8-10)19-15(24)9-25-16-21-20-14(7-6-13(18)23)22(16)12-4-5-12/h1-3,8,12H,4-7,9H2,(H2,18,23)(H,19,24)