4-[4-ethyl-3-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-ethyl-3-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-ethyl-3-[(5-methyl-2-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-3-[(5-methyl-2-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-3-[(5-methyl-2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-3-[(5-methyl-2-nitro-benzyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=C(C=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=C(C=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-3-21-17(13-5-7-15(23)8-6-13)19-20-18(21)26-11-14-10-12(2)4-9-16(14)22(24)25/h4-10,19H,3,11H2,1-2H3