6-[3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-allyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-allyl-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-2-11-21-17(15-5-3-4-6-16(15)23)19-20-18(21)26-12-13-7-9-14(10-8-13)22(24)25/h2-10,19H,1,11-12H2