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

Systemtic Name: 3-[5-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C17H20BrN5O2S MolecularWeight: 438.342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)CCC(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)CCC(=O)N)Br

InChI

InChI=1S/C17H20BrN5O2S/c1-10-2-5-13(12(18)8-10)20-16(25)9-26-17-22-21-15(7-6-14(19)24)23(17)11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H2,19,24)(H,20,25)