N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C17H17BrN4O2S2 MolecularWeight: 453.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C17H17BrN4O2S2/c1-10-8-12(18)5-6-14(10)20-15(23)11(2)25-17-22-21-16(26-17)19-9-13-4-3-7-24-13/h3-8,11H,9H2,1-2H3,(H,19,21)(H,20,23)