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

Systemtic Name: 1-phenyl-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 1-phenyl-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS2/c23-17(16-10-5-2-6-11-16)12-7-13-24-19-22-21-18(25-19)20-14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,21)