(6Z)-3-(4-tert-butylphenyl)-6-(phenylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

Systemtic Name: (6Z)-3-(4-tert-butylphenyl)-6-(phenylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one Openeye Name: (6Z)-6-benzylidene-3-(4-tert-butylphenyl)thiazolo[2,3-c][1,2,4]triazol-5-one CAS Name: (6Z)-3-(4-tert-butylphenyl)-6-(phenylmethylene)-5-thiazolo[2,3-c][1,2,4]triazolone IUPAC Name: (6Z)-6-benzylidene-3-(4-tert-butylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one Traditional Name: (6Z)-6-benzal-3-(4-tert-butylphenyl)thiazolo[2,3-c][1,2,4]triazol-5-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2C(=O)C(=CC4=CC=CC=C4)S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C/C4=CC=CC=C4)/S3

InChI

InChI=1S/C21H19N3OS/c1-21(2,3)16-11-9-15(10-12-16)18-22-23-20-24(18)19(25)17(26-20)13-14-7-5-4-6-8-14/h4-13H,1-3H3/b17-13-