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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CO3)Br

InChI

InChI=1S/C19H19BrN4O2S/c1-4-9-24-17(16-6-5-10-26-16)22-23-19(24)27-13(3)18(25)21-15-8-7-12(2)11-14(15)20/h4-8,10-11,13H,1,9H2,2-3H3,(H,21,25)