N-(2-bromanyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22BrN5OS MolecularWeight: 436.36918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)Br

InChI

InChI=1S/C18H22BrN5OS/c1-12-4-7-15(14(19)10-12)20-16(25)11-26-18-22-21-17(23-8-2-3-9-23)24(18)13-5-6-13/h4,7,10,13H,2-3,5-6,8-9,11H2,1H3,(H,20,25)