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

Systemtic Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS2/c24-18(17-10-5-2-6-11-17)12-7-15-25-20-23-22-19(26-20)21-14-13-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,21,22)