(4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-thioxo-3-pyridylidene)methanolate CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(2-thioxo-3-pyridylidene)methanolate Formula: C12H16N3O3S2- MolecularWeight: 314.40374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=C2C=CC=NC2=S)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=C2C=CC=NC2=S)[O-]

InChI

InChI=1S/C12H17N3O3S2/c1-20(17,18)15-7-3-6-14(8-9-15)12(16)10-4-2-5-13-11(10)19/h2,4-5,16H,3,6-9H2,1H3/p-1