ethyl 2-[(3-azanyl-3-sulfanylidene-propyl)-methyl-amino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(3-azanyl-3-sulfanylidene-propyl)-methyl-amino]pyridine-3-carboxylate Openeye Name: ethyl 2-[(3-amino-3-thioxo-propyl)-methyl-amino]pyridine-3-carboxylate CAS Name: 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]pyridine-3-carboxylate Traditional Name: 2-[(3-amino-3-thioxo-propyl)-methyl-amino]nicotinic acid ethyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)N(C)CCC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)N(C)CCC(=S)N

InChI

InChI=1S/C12H17N3O2S/c1-3-17-12(16)9-5-4-7-14-11(9)15(2)8-6-10(13)18/h4-5,7H,3,6,8H2,1-2H3,(H2,13,18)