methyl 4-[(5-azanylidene-1,2,4-dithiazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-azanylidene-1,2,4-dithiazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-imino-1,2,4-dithiazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-imino-1,2,4-dithiazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-imino-1,2,4-dithiazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-imino-1,2,4-dithiazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C11H10N2O2S3 MolecularWeight: 298.4043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=N)SS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=N)SS2

InChI

InChI=1S/C11H10N2O2S3/c1-15-9(14)8-4-2-7(3-5-8)6-16-11-13-10(12)17-18-11/h2-5,12H,6H2,1H3