2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazole-5-carbothioamide

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazole-5-carbothioamide Openeye Name: 2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazole-5-carbothioamide CAS Name: 2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-thiadiazole-5-carbothioamide IUPAC Name: 2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazole-5-carbothioamide Traditional Name: 2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazole-5-carbothioamide Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NN=C(S2)C(=S)N)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NN=C(S2)C(=S)N)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C17H23N3OS2/c1-16(2,3)10-7-9(8-11(12(10)21)17(4,5)6)14-19-20-15(23-14)13(18)22/h7-8,19H,1-6H3,(H2,18,22)