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

Systemtic Name: 1-phenyl-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 1-phenyl-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS2/c1-11(2)16-14-17-18-15(21-14)20-10-6-9-13(19)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17)