4-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 2-nitro-4-[[(3-o-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-2-26-15-6-4-3-5-12(15)16-19-20-17(27)21(16)18-10-11-7-8-14(23)13(9-11)22(24)25/h3-10,18H,2H2,1H3,(H,20,27)