methyl 3-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]methyl]benzoic acid methyl ester Formula: C11H10N3O2S2- MolecularWeight: 280.346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=N[N-]C(=N)S2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=N[N-]C(=N)S2

InChI

InChI=1S/C11H10N3O2S2/c1-16-9(15)8-4-2-3-7(5-8)6-17-11-14-13-10(12)18-11/h2-5H,6H2,1H3,(H-,12,13)/q-1