N-aminocarbonyl-2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C17H16BrN5O3S MolecularWeight: 450.30964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br

InChI

InChI=1S/C17H16BrN5O3S/c1-10(15(24)20-16(19)25)27-17-22-21-14(12-7-8-13(18)26-12)23(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H3,19,20,24,25)