sodium (E)-1-[(3-chloranyl-1H-indol-7-yl)amino]-2-cyano-3-methoxy-3-oxidanylidene-prop-1-ene-1-thiolate

Systemtic Name: sodium (E)-1-[(3-chloranyl-1H-indol-7-yl)amino]-2-cyano-3-methoxy-3-oxidanylidene-prop-1-ene-1-thiolate Openeye Name: sodium (E)-1-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-methoxy-3-oxo-prop-1-ene-1-thiolate CAS Name: sodium (E)-1-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-methoxy-3-oxo-1-propene-1-thiolate IUPAC Name: sodium (E)-1-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-methoxy-3-oxoprop-1-ene-1-thiolate Traditional Name: sodium (E)-1-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-keto-3-methoxy-prop-1-ene-1-thiolate Formula: C13H9ClN3NaO2S MolecularWeight: 329.73723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=CC=CC2=C1NC=C2Cl)[S-])C#N.[Na+]

Isomeric SMILES

COC(=O)/C(=C(\NC1=CC=CC2=C1NC=C2Cl)/[S-])/C#N.[Na+]

InChI

InChI=1S/C13H10ClN3O2S.Na/c1-19-13(18)8(5-15)12(20)17-10-4-2-3-7-9(14)6-16-11(7)10;/h2-4,6,16-17,20H,1H3;/q;+1/p-1/b12-8+;