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

Systemtic Name: 1-phenyl-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-phenyl-1-butanone IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-phenyl-butan-1-one Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS2/c22-16(14-8-3-1-4-9-14)12-7-13-23-18-21-20-17(24-18)19-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,19,20)