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

Systemtic Name: 4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C17H21N5O3S MolecularWeight: 375.44534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c23-15-8-6-13(10-14(15)22(24)25)11-18-21-16(19-20-17(21)26)9-7-12-4-2-1-3-5-12/h6,8,10-12,18H,1-5,7,9H2,(H,20,26)