4-chloranyl-2-nitro-6-[[2-(phenylmethylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-2-nitro-6-[[2-(phenylmethylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2-benzylsulfanylethylamino)methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-2-nitro-6-[[2-(phenylmethylthio)ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2-benzylsulfanylethylamino)methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(benzylthio)ethylamino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O3S/c17-14-8-13(16(20)15(9-14)19(21)22)10-18-6-7-23-11-12-4-2-1-3-5-12/h1-5,8-10,18H,6-7,11H2