1,1-bis(oxidanylidene)-1,2-benzothiazole-3-thione; phenylmethanamine

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazole-3-thione; phenylmethanamine Openeye Name: 1,1-dioxo-1,2-benzothiazole-3-thione; phenylmethanamine CAS Name: 1,1-dioxo-1,2-benzothiazole-3-thione; phenylmethanamine IUPAC Name: 1,1-dioxo-1,2-benzothiazole-3-thione; phenylmethanamine Traditional Name: benzylamine; 1,1-diketo-1,2-benzothiazole-3-thione Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=S)NS2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=S)NS2(=O)=O

InChI

InChI=1S/C7H5NO2S2.C7H9N/c9-12(10)6-4-2-1-3-5(6)7(11)8-12;8-6-7-4-2-1-3-5-7/h1-4H,(H,8,11);1-5H,6,8H2