1,2,3-benzothiadiazol-4-yl hydrogen carbonate; phenylmethanethiol

Systemtic Name: 1,2,3-benzothiadiazol-4-yl hydrogen carbonate; phenylmethanethiol Openeye Name: 1,2,3-benzothiadiazol-4-yl hydrogen carbonate; phenylmethanethiol CAS Name: carbonic acid 1,2,3-benzothiadiazol-4-yl ester; phenylmethanethiol IUPAC Name: 1,2,3-benzothiadiazol-4-yl hydrogen carbonate; phenylmethanethiol Traditional Name: carbonic acid 1,2,3-benzothiadiazol-4-yl ester; phenylmethanethiol Formula: C14H12N2O3S2 MolecularWeight: 320.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS.C1=CC(=C2C(=C1)SN=N2)OC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS.C1=CC(=C2C(=C1)SN=N2)OC(=O)O

InChI

InChI=1S/C7H4N2O3S.C7H8S/c10-7(11)12-4-2-1-3-5-6(4)8-9-13-5;8-6-7-4-2-1-3-5-7/h1-3H,(H,10,11);1-5,8H,6H2