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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CO3)C4CC4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CO3)C4CC4)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-12-5-8-17(16(21)10-12)22-19(26)13(2)28-20-24-23-18(14-6-7-14)25(20)11-15-4-3-9-27-15/h3-5,8-10,13-14H,6-7,11H2,1-2H3,(H,22,26)