(5-azanyl-1,3,4-thiadiazol-2-yl)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone

Systemtic Name: (5-azanyl-1,3,4-thiadiazol-2-yl)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone Openeye Name: (5-amino-1,3,4-thiadiazol-2-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: (5-amino-1,3,4-thiadiazol-2-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone IUPAC Name: (5-amino-1,3,4-thiadiazol-2-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: (5-amino-1,3,4-thiadiazol-2-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C17H23N3O2S MolecularWeight: 333.44842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=NN=C(S2)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=NN=C(S2)N

InChI

InChI=1S/C17H23N3O2S/c1-16(2,3)10-7-9(8-11(13(10)22)17(4,5)6)12(21)14-19-20-15(18)23-14/h7-8,22H,1-6H3,(H2,18,20)