ethanethioic S-acid; 4-(1,2,3,4-tetrazol-1-yl)benzenethiol

Systemtic Name: ethanethioic S-acid; 4-(1,2,3,4-tetrazol-1-yl)benzenethiol Openeye Name: ethanethioic S-acid; 4-(tetrazol-1-yl)benzenethiol CAS Name: ethanethioic S-acid; 4-(1-tetrazolyl)benzenethiol IUPAC Name: ethanethioic S-acid; 4-(tetrazol-1-yl)benzenethiol Traditional Name: 4-(tetrazol-1-yl)benzenethiol; thioacetic acid Formula: C9H10N4OS2 MolecularWeight: 254.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S.C1=CC(=CC=C1N2C=NN=N2)S

Isomeric SMILES

CC(=O)S.C1=CC(=CC=C1N2C=NN=N2)S

InChI

InChI=1S/C7H6N4S.C2H4OS/c12-7-3-1-6(2-4-7)11-5-8-9-10-11;1-2(3)4/h1-5,12H;1H3,(H,3,4)