6-tert-butyl-4-phenyl-3-sulfanylidene-1,2,4-triazinan-5-one

Systemtic Name: 6-tert-butyl-4-phenyl-3-sulfanylidene-1,2,4-triazinan-5-one Openeye Name: 6-tert-butyl-4-phenyl-3-thioxo-1,2,4-triazinan-5-one CAS Name: 6-tert-butyl-4-phenyl-3-sulfanylidene-1,2,4-triazinan-5-one IUPAC Name: 6-tert-butyl-4-phenyl-3-sulfanylidene-1,2,4-triazinan-5-one Traditional Name: 6-tert-butyl-4-phenyl-3-thioxo-1,2,4-triazinan-5-one Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=O)N(C(=S)NN1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1C(=O)N(C(=S)NN1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS/c1-13(2,3)10-11(17)16(12(18)15-14-10)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,15,18)