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

Systemtic Name: 4-[4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-3-[(3-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-3-[(3-nitrobenzyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-2-20-16(13-6-8-15(22)9-7-13)18-19-17(20)25-11-12-4-3-5-14(10-12)21(23)24/h3-10,18H,2,11H2,1H3