4-nitro-6-[[2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[[2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(3-isopropylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-nitro-6-[[[3-(propan-2-ylthio)-1H-1,2,4-triazol-5-yl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-nitro-6-[[2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-[3-(isopropylthio)-1H-1,2,4-triazol-5-yl]hydrazino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C12H14N6O3S MolecularWeight: 322.34296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=N1)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=NNC(=N1)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O3S/c1-7(2)22-12-14-11(16-17-12)15-13-6-8-5-9(18(20)21)3-4-10(8)19/h3-7,13H,1-2H3,(H2,14,15,16,17)