4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C17H17N3O2S2/c21-15(13-6-2-1-3-7-13)9-5-11-23-17-20-19-16(24-17)18-12-14-8-4-10-22-14/h1-4,6-8,10H,5,9,11-12H2,(H,18,19)