(4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=CNC2=S

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=CNC2=S

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/h2,4-5H,3,6-9H2,1H3,(H,13,19)