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

Systemtic Name: 4-bromanyl-6-[3-[(3-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-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[3-[(3-nitrophenyl)methylthio]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[3-[(3-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-[(3-nitrobenzyl)thio]-1H-1,2,4-triazol-5-ylidene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C18H15BrN4O3S MolecularWeight: 447.3057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O3S/c1-2-8-22-17(15-10-13(19)6-7-16(15)24)20-21-18(22)27-11-12-4-3-5-14(9-12)23(25)26/h2-7,9-10,20H,1,8,11H2