(4-tert-butylphenyl)methanethiol; (4-methyl-1,2,3-thiadiazol-5-yl) hydrogen carbonate

Systemtic Name: (4-tert-butylphenyl)methanethiol; (4-methyl-1,2,3-thiadiazol-5-yl) hydrogen carbonate Openeye Name: (4-tert-butylphenyl)methanethiol; (4-methylthiadiazol-5-yl) hydrogen carbonate CAS Name: (4-tert-butylphenyl)methanethiol; carbonic acid (4-methyl-5-thiadiazolyl) ester IUPAC Name: (4-tert-butylphenyl)methanethiol; (4-methylthiadiazol-5-yl) hydrogen carbonate Traditional Name: (4-tert-butylphenyl)methanethiol; carbonic acid (4-methylthiadiazol-5-yl) ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)OC(=O)O.CC(C)(C)C1=CC=C(C=C1)CS

Isomeric SMILES

CC1=C(SN=N1)OC(=O)O.CC(C)(C)C1=CC=C(C=C1)CS

InChI

InChI=1S/C11H16S.C4H4N2O3S/c1-11(2,3)10-6-4-9(8-12)5-7-10;1-2-3(9-4(7)8)10-6-5-2/h4-7,12H,8H2,1-3H3;1H3,(H,7,8)