N-(4-bromanyl-2-methyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C18H21BrN4OS/c1-10-9-13(19)5-8-15(10)20-17(24)11(2)25-18-22-21-16(12-3-4-12)23(18)14-6-7-14/h5,8-9,11-12,14H,3-4,6-7H2,1-2H3,(H,20,24)