(2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamodithioic acid

Systemtic Name: (2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamodithioic acid Openeye Name: (2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamodithioic acid CAS Name: (2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamodithioic acid IUPAC Name: (2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamodithioic acid Traditional Name: (2-tert-butyl-6-nitro-1,3-benzoxazol-5-yl)carbamodithioic acid Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=S)S

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=S)S

InChI

InChI=1S/C12H13N3O3S2/c1-12(2,3)10-13-7-4-6(14-11(19)20)8(15(16)17)5-9(7)18-10/h4-5H,1-3H3,(H2,14,19,20)