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

Systemtic Name: 2-[3-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]acetamide Formula: C16H18BrN5O2S MolecularWeight: 424.31542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC(=O)N)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC(=O)N)C3CC3

InChI

InChI=1S/C16H18BrN5O2S/c1-9-6-11(17)4-5-12(9)19-14(24)8-25-16-21-20-15(10-2-3-10)22(16)7-13(18)23/h4-6,10H,2-3,7-8H2,1H3,(H2,18,23)(H,19,24)