4-(4-tert-butylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one

Systemtic Name: 4-(4-tert-butylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one Openeye Name: 4-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazolidin-3-one CAS Name: 4-(4-tert-butylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one IUPAC Name: 4-(4-tert-butylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one Traditional Name: 4-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazolidin-3-one Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)NNC2=S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)NNC2=S

InChI

InChI=1S/C12H15N3OS/c1-12(2,3)8-4-6-9(7-5-8)15-10(16)13-14-11(15)17/h4-7H,1-3H3,(H,13,16)(H,14,17)